5-chloro-N-(3-chloro-2-fluorophenyl)-2-methylbenzenesulfonamide

C13H10Cl2FNO2S — CID 38890087

IUPAC5-chloro-N-(3-chloro-2-fluorophenyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(Cl)c1F
InChIInChI=1S/C13H10Cl2FNO2S/c1-8-5-6-9(14)7-12(8)20(18,19)17-11-4-2-3-10(15)13(11)16/h2-7,17H,1H3
InChIKeyZRYAJSFXDQZXLA-UHFFFAOYSA-N
MW334.20 g/mol
LogP4.24
Rot. Bonds3

About 5-chloro-N-(3-chloro-2-fluorophenyl)-2-methylbenzenesulfonamide

5-chloro-N-(3-chloro-2-fluorophenyl)-2-methylbenzenesulfonamide (PubChem CID 38890087) has the molecular formula C13H10Cl2FNO2S and a molecular weight of 334.20 g/mol. Its IUPAC name is 5-chloro-N-(3-chloro-2-fluorophenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-(3-chloro-2-fluorophenyl)-2-methylbenzenesulfonamide
PubChem CID38890087
Molecular FormulaC13H10Cl2FNO2S
Molecular Weight334.20 g/mol
Exact Mass332.98
IUPAC Name5-chloro-N-(3-chloro-2-fluorophenyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(Cl)c1F
InChIInChI=1S/C13H10Cl2FNO2S/c1-8-5-6-9(14)7-12(8)20(18,19)17-11-4-2-3-10(15)13(11)16/h2-7,17H,1H3
InChIKeyZRYAJSFXDQZXLA-UHFFFAOYSA-N
XLogP4.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.20
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-methyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 38888748
N-(5-amino-2-fluorophenyl)-5-chloro-2-methylbenzenesulfonamide
CID 43604944
2,5-dibromo-N-(3-chloro-2-fluorophenyl)-4-methylbenzenesulfonamide
CID 81427284
5-amino-N-(3-chloro-2-fluorophenyl)-3-fluoro-2-methylbenzenesulfonamide
CID 79898910
N-(2-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 47308992
5-bromo-N-(2,3-difluorophenyl)-2-methylbenzenesulfonamide
CID 47336995
3-amino-N-(3-chloro-2-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 79885971
5-amino-N-(5-chloro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 28537891
3-amino-5-chloro-N-(3-chloro-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 103050336
5-chloro-2-methyl-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
CID 43606096
N-(3-chloro-2-methylphenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 1256135
3-[(2,3-difluorophenyl)sulfamoyl]-4-methylbenzoic acid
CID 52715195

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-chloro-2-fluorophenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-chloro-N-(3-chloro-2-fluorophenyl)-2-methylbenzenesulfonamide (CID 38890087) is 5-chloro-N-(3-chloro-2-fluorophenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-(3-chloro-2-fluorophenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-chloro-N-(3-chloro-2-fluorophenyl)-2-methylbenzenesulfonamide is Cc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(Cl)c1F.
What is the InChIKey of 5-chloro-N-(3-chloro-2-fluorophenyl)-2-methylbenzenesulfonamide?
The InChIKey is ZRYAJSFXDQZXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FNO2S/c1-8-5-6-9(14)7-12(8)20(18,19)17-11-4-2-3-10(15)13(11)16/h2-7,17H,1H3.
What are the key properties of 5-chloro-N-(3-chloro-2-fluorophenyl)-2-methylbenzenesulfonamide?
5-chloro-N-(3-chloro-2-fluorophenyl)-2-methylbenzenesulfonamide has a molecular weight of 334.20 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-chloro-2-fluorophenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 38890087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).