N-(2-chloro-6-fluorophenyl)-4-cyano-3-methylbenzenesulfonamide

C14H10ClFN2O2S — CID 106919890

IUPACN-(2-chloro-6-fluorophenyl)-4-cyano-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2c(F)cccc2Cl)ccc1C#N
InChIInChI=1S/C14H10ClFN2O2S/c1-9-7-11(6-5-10(9)8-17)21(19,20)18-14-12(15)3-2-4-13(14)16/h2-7,18H,1H3
InChIKeyGGUKXBWWSJJFOL-UHFFFAOYSA-N
MW324.76 g/mol
LogP3.46
Rot. Bonds3

About N-(2-chloro-6-fluorophenyl)-4-cyano-3-methylbenzenesulfonamide

N-(2-chloro-6-fluorophenyl)-4-cyano-3-methylbenzenesulfonamide (PubChem CID 106919890) has the molecular formula C14H10ClFN2O2S and a molecular weight of 324.76 g/mol. Its IUPAC name is N-(2-chloro-6-fluorophenyl)-4-cyano-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-6-fluorophenyl)-4-cyano-3-methylbenzenesulfonamide
PubChem CID106919890
Molecular FormulaC14H10ClFN2O2S
Molecular Weight324.76 g/mol
Exact Mass324.01
IUPAC NameN-(2-chloro-6-fluorophenyl)-4-cyano-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2c(F)cccc2Cl)ccc1C#N
InChIInChI=1S/C14H10ClFN2O2S/c1-9-7-11(6-5-10(9)8-17)21(19,20)18-14-12(15)3-2-4-13(14)16/h2-7,18H,1H3
InChIKeyGGUKXBWWSJJFOL-UHFFFAOYSA-N
XLogP3.46
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.76
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyano-N-(3,4-dichlorophenyl)-3-methylbenzenesulfonamide
CID 106919707
N-(4-bromo-2-chlorophenyl)-4-cyano-3-methylbenzenesulfonamide
CID 106831780
3-chloro-4-cyano-N-(2-fluorophenyl)benzenesulfonamide
CID 47309192
N-(3-chloro-4-hydroxyphenyl)-4-cyano-3-methylbenzenesulfonamide
CID 106831840
4-cyano-3-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 106831770
4-cyano-N,3-dimethylbenzenesulfonamide
CID 106832880
4-cyano-N-(2-iodophenyl)-3-methylbenzenesulfonamide
CID 106831745
N-(2-chloro-6-methylphenyl)-4-cyanobenzenesulfonamide
CID 66254566
N-(6-bromo-2-pyridinyl)-4-cyano-3-methylbenzenesulfonamide
CID 106920444
3-cyano-N-(2,6-difluorophenyl)benzenesulfonamide
CID 8500884
4-cyano-N-(2,6-dichlorophenyl)benzenesulfonamide
CID 60640379
N-[(4-chlorophenyl)methyl]-4-cyano-3-methylbenzenesulfonamide
CID 106832854

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-fluorophenyl)-4-cyano-3-methylbenzenesulfonamide?
The IUPAC name of N-(2-chloro-6-fluorophenyl)-4-cyano-3-methylbenzenesulfonamide (CID 106919890) is N-(2-chloro-6-fluorophenyl)-4-cyano-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-chloro-6-fluorophenyl)-4-cyano-3-methylbenzenesulfonamide?
The canonical SMILES for N-(2-chloro-6-fluorophenyl)-4-cyano-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2c(F)cccc2Cl)ccc1C#N.
What is the InChIKey of N-(2-chloro-6-fluorophenyl)-4-cyano-3-methylbenzenesulfonamide?
The InChIKey is GGUKXBWWSJJFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O2S/c1-9-7-11(6-5-10(9)8-17)21(19,20)18-14-12(15)3-2-4-13(14)16/h2-7,18H,1H3.
What are the key properties of N-(2-chloro-6-fluorophenyl)-4-cyano-3-methylbenzenesulfonamide?
N-(2-chloro-6-fluorophenyl)-4-cyano-3-methylbenzenesulfonamide has a molecular weight of 324.76 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-fluorophenyl)-4-cyano-3-methylbenzenesulfonamide is sourced from PubChem (CID 106919890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).