CAS 100-90-3 | Acetamide, N-[4-[[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl]phenyl]- | CAS Number 100-90-3

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100-90-3 | Acetamide, N-[4-[[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl]phenyl]-

CAS No: 100-90-3 Catalog No: AG00007R MDL No:MFCD00185750

Product Description

Catalog Number:

AG00007R

Chemical Name:

Acetamide, N-[4-[[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl]phenyl]-

CAS Number:

100-90-3

Molecular Formula:

C14H16N4O3S

Molecular Weight:

320.3668

MDL Number:

MFCD00185750

IUPAC Name:

N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide

InChI:

InChI=1S/C14H16N4O3S/c1-9-8-10(2)16-14(15-9)18-22(20,21)13-6-4-12(5-7-13)17-11(3)19/h4-8H,1-3H3,(H,17,19)(H,15,16,18)

InChI Key:

LJKAKWDUZRJNPJ-UHFFFAOYSA-N

SMILES:

CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(n1)C

Properties

Complexity:

473

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

320.094g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

320.367g/mol

Monoisotopic Mass:

320.094g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

109A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.1

Literature

Title	Journal
Biodegradation studies of N4-acetylsulfapyridine and N4-acetylsulfamethazine in environmental water by applying mass spectrometry techniques.	Analytical and bioanalytical chemistry 20120301
A sensitive method for detection of sulfamethazine and N4-acetylsulfamethazine residues in environmental samples using solid phase immunoextraction coupled with MALDI-TOF MS.	Journal of agricultural and food chemistry 20030827