Home Halogens 2,4-dichloro-5-[(pyridin-3-ylmethyl)sulfamoyl]benzoic acid

2,4-dichloro-5-[(pyridin-3-ylmethyl)sulfamoyl]benzoic acid

CAS No.:
863416-28-8
Catalog Number:
AG01A7Y8
Molecular Formula:
C13H10Cl2N2O4S
Molecular Weight:
361.2005
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Product Description
Catalog Number:
AG01A7Y8
Chemical Name:
2,4-dichloro-5-[(pyridin-3-ylmethyl)sulfamoyl]benzoic acid
CAS Number:
863416-28-8
Molecular Formula:
C13H10Cl2N2O4S
Molecular Weight:
361.2005
MDL Number:
MFCD07338972
IUPAC Name:
2,4-dichloro-5-(pyridin-3-ylmethylsulfamoyl)benzoic acid
InChI:
InChI=1S/C13H10Cl2N2O4S/c14-10-5-11(15)12(4-9(10)13(18)19)22(20,21)17-7-8-2-1-3-16-6-8/h1-6,17H,7H2,(H,18,19)
InChI Key:
KOWUPYHMTMYGSA-UHFFFAOYSA-N
SMILES:
Clc1cc(Cl)c(cc1S(=O)(=O)NCc1cccnc1)C(=O)O
Properties
Complexity:
497  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.974g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
361.193g/mol
Monoisotopic Mass:
359.974g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties