5-bromo-N-(2-chloro-4-cyanophenyl)-2-methylbenzenesulfonamide

C14H10BrClN2O2S — CID 103791841

IUPAC5-bromo-N-(2-chloro-4-cyanophenyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C#N)cc1Cl
InChIInChI=1S/C14H10BrClN2O2S/c1-9-2-4-11(15)7-14(9)21(19,20)18-13-5-3-10(8-17)6-12(13)16/h2-7,18H,1H3
InChIKeySQVZCRXJINUJHZ-UHFFFAOYSA-N
MW385.67 g/mol
LogP4.08
Rot. Bonds3

About 5-bromo-N-(2-chloro-4-cyanophenyl)-2-methylbenzenesulfonamide

5-bromo-N-(2-chloro-4-cyanophenyl)-2-methylbenzenesulfonamide (PubChem CID 103791841) has the molecular formula C14H10BrClN2O2S and a molecular weight of 385.67 g/mol. Its IUPAC name is 5-bromo-N-(2-chloro-4-cyanophenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-chloro-4-cyanophenyl)-2-methylbenzenesulfonamide
PubChem CID103791841
Molecular FormulaC14H10BrClN2O2S
Molecular Weight385.67 g/mol
Exact Mass383.93
IUPAC Name5-bromo-N-(2-chloro-4-cyanophenyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C#N)cc1Cl
InChIInChI=1S/C14H10BrClN2O2S/c1-9-2-4-11(15)7-14(9)21(19,20)18-13-5-3-10(8-17)6-12(13)16/h2-7,18H,1H3
InChIKeySQVZCRXJINUJHZ-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

5-bromo-N-(2-bromo-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 61217646
N-(2-chloro-4-cyanophenyl)-3,4-dimethylbenzenesulfonamide
CID 103791853
4-amino-N-(2-chloro-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 107806959
4-amino-N-(2-chloro-4-cyanophenyl)-3-methylbenzenesulfonamide
CID 107806926
5-bromo-2-chloro-N-(5-cyano-2-methylphenyl)pyridine-3-sulfonamide
CID 62103004
3-amino-N-(2-chloro-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 107806930
5-bromo-N-(2-cyanophenyl)-2-methylbenzenesulfonamide
CID 8513690
5-bromo-N-(2,5-dichlorophenyl)-2-methylbenzenesulfonamide
CID 60661381
2-chloro-4-cyano-N-(2-methylphenyl)benzenesulfonamide
CID 103988459
N-(2-bromo-4-chlorophenyl)-4-cyano-2-methylbenzenesulfonamide
CID 103773290
N-(2-chloro-4-cyanophenyl)-2,4-difluorobenzenesulfonamide
CID 103791874
5-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-2-methylbenzenesulfonamide
CID 27993653

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-chloro-4-cyanophenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-bromo-N-(2-chloro-4-cyanophenyl)-2-methylbenzenesulfonamide (CID 103791841) is 5-bromo-N-(2-chloro-4-cyanophenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-(2-chloro-4-cyanophenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-bromo-N-(2-chloro-4-cyanophenyl)-2-methylbenzenesulfonamide is Cc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C#N)cc1Cl.
What is the InChIKey of 5-bromo-N-(2-chloro-4-cyanophenyl)-2-methylbenzenesulfonamide?
The InChIKey is SQVZCRXJINUJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2O2S/c1-9-2-4-11(15)7-14(9)21(19,20)18-13-5-3-10(8-17)6-12(13)16/h2-7,18H,1H3.
What are the key properties of 5-bromo-N-(2-chloro-4-cyanophenyl)-2-methylbenzenesulfonamide?
5-bromo-N-(2-chloro-4-cyanophenyl)-2-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 5-bromo-N-(2-chloro-4-cyanophenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 103791841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).