2-chloro-4-cyano-N-(2-fluorophenyl)-N-methylbenzenesulfonamide

C14H10ClFN2O2S — CID 103988558

IUPAC2-chloro-4-cyano-N-(2-fluorophenyl)-N-methylbenzenesulfonamide
SMILESCN(c1ccccc1F)S(=O)(=O)c1ccc(C#N)cc1Cl
InChIInChI=1S/C14H10ClFN2O2S/c1-18(13-5-3-2-4-12(13)16)21(19,20)14-7-6-10(9-17)8-11(14)15/h2-8H,1H3
InChIKeyYMMYAHWSBIFQMB-UHFFFAOYSA-N
MW324.76 g/mol
LogP3.18
Rot. Bonds3

About 2-chloro-4-cyano-N-(2-fluorophenyl)-N-methylbenzenesulfonamide

2-chloro-4-cyano-N-(2-fluorophenyl)-N-methylbenzenesulfonamide (PubChem CID 103988558) has the molecular formula C14H10ClFN2O2S and a molecular weight of 324.76 g/mol. Its IUPAC name is 2-chloro-4-cyano-N-(2-fluorophenyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-cyano-N-(2-fluorophenyl)-N-methylbenzenesulfonamide
PubChem CID103988558
Molecular FormulaC14H10ClFN2O2S
Molecular Weight324.76 g/mol
Exact Mass324.01
IUPAC Name2-chloro-4-cyano-N-(2-fluorophenyl)-N-methylbenzenesulfonamide
SMILESCN(c1ccccc1F)S(=O)(=O)c1ccc(C#N)cc1Cl
InChIInChI=1S/C14H10ClFN2O2S/c1-18(13-5-3-2-4-12(13)16)21(19,20)14-7-6-10(9-17)8-11(14)15/h2-8H,1H3
InChIKeyYMMYAHWSBIFQMB-UHFFFAOYSA-N
XLogP3.18
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.76
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-chloro-N-(2-fluorophenyl)-N-methylbenzenesulfonamide
CID 60596902
4-chloro-2-fluoro-5-[(2-fluorophenyl)-methylsulfamoyl]benzoic acid
CID 154747396
3-chloro-4-(N-ethyl-2-fluoroanilino)benzonitrile
CID 63509825
2-cyano-N-(2-fluorophenyl)-N-methylpyridine-3-sulfonamide
CID 106595893
2-chloro-4-cyano-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 103990035
2-chloro-4-cyano-N-ethyl-N-propan-2-ylbenzenesulfonamide
CID 103989310
2-chloro-4-cyano-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 103989140
3,4-dichloro-5-[(2-fluorophenyl)-methylsulfamoyl]benzoic acid
CID 154748258
2-chloro-4-cyano-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 75475340
2-chloro-4-cyano-N-(cyanomethyl)-N-ethylbenzenesulfonamide
CID 75451266
2-chloro-4-cyano-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 103989122
N-(4-cyanophenyl)-2,4-difluoro-N-methylbenzenesulfonamide
CID 62983286

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-cyano-N-(2-fluorophenyl)-N-methylbenzenesulfonamide?
The IUPAC name of 2-chloro-4-cyano-N-(2-fluorophenyl)-N-methylbenzenesulfonamide (CID 103988558) is 2-chloro-4-cyano-N-(2-fluorophenyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-4-cyano-N-(2-fluorophenyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 2-chloro-4-cyano-N-(2-fluorophenyl)-N-methylbenzenesulfonamide is CN(c1ccccc1F)S(=O)(=O)c1ccc(C#N)cc1Cl.
What is the InChIKey of 2-chloro-4-cyano-N-(2-fluorophenyl)-N-methylbenzenesulfonamide?
The InChIKey is YMMYAHWSBIFQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O2S/c1-18(13-5-3-2-4-12(13)16)21(19,20)14-7-6-10(9-17)8-11(14)15/h2-8H,1H3.
What are the key properties of 2-chloro-4-cyano-N-(2-fluorophenyl)-N-methylbenzenesulfonamide?
2-chloro-4-cyano-N-(2-fluorophenyl)-N-methylbenzenesulfonamide has a molecular weight of 324.76 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-cyano-N-(2-fluorophenyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 103988558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).