CAS 14417-01-7 | Benzenesulfonamide, N,N-dimethyl- | CAS Number 14417-01-7

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14417-01-7 | Benzenesulfonamide, N,N-dimethyl-

CAS No: 14417-01-7 Catalog No: AG001J2B MDL No:MFCD00514037

Product Description

Catalog Number:

AG001J2B

Chemical Name:

Benzenesulfonamide, N,N-dimethyl-

CAS Number:

14417-01-7

Molecular Formula:

C8H11NO2S

Molecular Weight:

185.2434

MDL Number:

MFCD00514037

IUPAC Name:

N,N-dimethylbenzenesulfonamide

InChI:

InChI=1S/C8H11NO2S/c1-9(2)12(10,11)8-6-4-3-5-7-8/h3-7H,1-2H3

InChI Key:

BVSPJPNNLDIUFE-UHFFFAOYSA-N

SMILES:

CN(S(=O)(=O)c1ccccc1)C

NSC Number:

86567

Properties

Complexity:

222

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

185.051g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

185.241g/mol

Monoisotopic Mass:

185.051g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

45.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Computational study of the interactions between guanine derivatives and cyclin-dependent kinase 2 (CDK2) by CoMFA and QM/MM.	Journal of chemical information and modeling 20100101