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74538-97-9

74538-97-9 | Benzeneethanesulfonamide,2-hydroxy-b-oxo-

CAS No: 74538-97-9 Catalog No: AG005AR5 MDL No:MFCD24718626

Product Description

Catalog Number:
AG005AR5
Chemical Name:
Benzeneethanesulfonamide,2-hydroxy-b-oxo-
CAS Number:
74538-97-9
Molecular Formula:
C8H11NO3S
Molecular Weight:
201.2428
MDL Number:
MFCD24718626
IUPAC Name:
2-(2-hydroxyphenyl)-2-oxoethanesulfonamide
InChI:
InChI=1S/C8H9NO4S/c9-14(12,13)5-8(11)6-3-1-2-4-7(6)10/h1-4,10H,5H2,(H2,9,12,13)
InChI Key:
MOISSRPSFZRNRT-UHFFFAOYSA-N
SMILES:
Oc1ccccc1CCS(=O)(=O)N
UNII:
X3E476639D

Properties

Complexity:
306  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.025g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
215.223g/mol
Monoisotopic Mass:
215.025g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  

Literature

Title Journal
Effects of endogenous steroids on CYP3A4-mediated drug metabolism by human liver microsomes. Drug metabolism and disposition: the biological fate of chemicals 20020501

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