N-(4-bromo-2-chlorophenyl)-4-cyano-3-methylbenzenesulfonamide

C14H10BrClN2O2S — CID 106831780

IUPACN-(4-bromo-2-chlorophenyl)-4-cyano-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(Br)cc2Cl)ccc1C#N
InChIInChI=1S/C14H10BrClN2O2S/c1-9-6-12(4-2-10(9)8-17)21(19,20)18-14-5-3-11(15)7-13(14)16/h2-7,18H,1H3
InChIKeyWPMWGEINOTWRBV-UHFFFAOYSA-N
MW385.67 g/mol
LogP4.08
Rot. Bonds3

About N-(4-bromo-2-chlorophenyl)-4-cyano-3-methylbenzenesulfonamide

N-(4-bromo-2-chlorophenyl)-4-cyano-3-methylbenzenesulfonamide (PubChem CID 106831780) has the molecular formula C14H10BrClN2O2S and a molecular weight of 385.67 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-4-cyano-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-4-cyano-3-methylbenzenesulfonamide
PubChem CID106831780
Molecular FormulaC14H10BrClN2O2S
Molecular Weight385.67 g/mol
Exact Mass383.93
IUPAC NameN-(4-bromo-2-chlorophenyl)-4-cyano-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(Br)cc2Cl)ccc1C#N
InChIInChI=1S/C14H10BrClN2O2S/c1-9-6-12(4-2-10(9)8-17)21(19,20)18-14-5-3-11(15)7-13(14)16/h2-7,18H,1H3
InChIKeyWPMWGEINOTWRBV-UHFFFAOYSA-N
XLogP4.08
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.67
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-methylphenyl)-4-cyano-3-methylbenzenesulfonamide
CID 106831795
3-chloro-N-(2-chloro-4-methylphenyl)-4-cyanobenzenesulfonamide
CID 115588624
4-amino-N-(4-bromo-2-cyanophenyl)-3-methylbenzenesulfonamide
CID 82692234
N-(5-bromo-2-cyanophenyl)-3,4-dimethylbenzenesulfonamide
CID 104878072
3-bromo-N-(5-bromo-2-cyanophenyl)-4-chlorobenzenesulfonamide
CID 107798442
4-amino-N-(2-chloro-4-cyanophenyl)-3-methylbenzenesulfonamide
CID 107806926
4-cyano-N-(3,4-dichlorophenyl)-3-methylbenzenesulfonamide
CID 106919707
N-(2-chloro-4-cyanophenyl)-3,4-dimethylbenzenesulfonamide
CID 103791853
4-cyano-N-(2-iodophenyl)-3-methylbenzenesulfonamide
CID 106831745
3-amino-N-(4-bromo-2-chlorophenyl)-4,5-dimethylbenzenesulfonamide
CID 43168118
N-(2-chloro-6-fluorophenyl)-4-cyano-3-methylbenzenesulfonamide
CID 106919890
N-(3-chloro-4-hydroxyphenyl)-4-cyano-3-methylbenzenesulfonamide
CID 106831840

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-4-cyano-3-methylbenzenesulfonamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-4-cyano-3-methylbenzenesulfonamide (CID 106831780) is N-(4-bromo-2-chlorophenyl)-4-cyano-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-4-cyano-3-methylbenzenesulfonamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-4-cyano-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccc(Br)cc2Cl)ccc1C#N.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-4-cyano-3-methylbenzenesulfonamide?
The InChIKey is WPMWGEINOTWRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2O2S/c1-9-6-12(4-2-10(9)8-17)21(19,20)18-14-5-3-11(15)7-13(14)16/h2-7,18H,1H3.
What are the key properties of N-(4-bromo-2-chlorophenyl)-4-cyano-3-methylbenzenesulfonamide?
N-(4-bromo-2-chlorophenyl)-4-cyano-3-methylbenzenesulfonamide has a molecular weight of 385.67 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-4-cyano-3-methylbenzenesulfonamide is sourced from PubChem (CID 106831780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).