N-(4-bromo-3-cyanophenyl)-4-methylbenzenesulfonamide

C14H11BrN2O2S — CID 169370042

IUPACN-(4-bromo-3-cyanophenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Br)c(C#N)c2)cc1
InChIInChI=1S/C14H11BrN2O2S/c1-10-2-5-13(6-3-10)20(18,19)17-12-4-7-14(15)11(8-12)9-16/h2-8,17H,1H3
InChIKeyBDILYDJBWPMSRQ-UHFFFAOYSA-N
MW351.23 g/mol
LogP3.43
Rot. Bonds3

About N-(4-bromo-3-cyanophenyl)-4-methylbenzenesulfonamide

N-(4-bromo-3-cyanophenyl)-4-methylbenzenesulfonamide (PubChem CID 169370042) has the molecular formula C14H11BrN2O2S and a molecular weight of 351.23 g/mol. Its IUPAC name is N-(4-bromo-3-cyanophenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3-cyanophenyl)-4-methylbenzenesulfonamide
PubChem CID169370042
Molecular FormulaC14H11BrN2O2S
Molecular Weight351.23 g/mol
Exact Mass349.97
IUPAC NameN-(4-bromo-3-cyanophenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Br)c(C#N)c2)cc1
InChIInChI=1S/C14H11BrN2O2S/c1-10-2-5-13(6-3-10)20(18,19)17-12-4-7-14(15)11(8-12)9-16/h2-8,17H,1H3
InChIKeyBDILYDJBWPMSRQ-UHFFFAOYSA-N
XLogP3.43
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-methoxyphenyl)-4-methylbenzenesulfonamide
CID 169369936
N-[4-bromo-3-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 3791581
N-(5-bromo-2-cyano-4-fluorophenyl)-4-methylbenzenesulfonamide
CID 169373336
N-[3-(4-cyano-3-hydroxyphenyl)-5-methylphenyl]-4-methylbenzenesulfonamide
CID 46833322
N-(3,4-dicyanophenyl)benzenesulfonamide
CID 113220864
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
CID 21210525
3-bromo-4-methoxy-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 39361432
N-(2,4-dicyano-6-methylphenyl)-4-methylbenzenesulfonamide
CID 169373023
N-(2,4-dichloro-6-cyanophenyl)-4-methylbenzenesulfonamide
CID 169369950
4-(bromomethyl)-N-(4-chloro-3-cyanophenyl)benzenesulfonamide
CID 65480606
N-(3,5-dinitrophenyl)-4-methylbenzenesulfonamide
CID 169370127

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-cyanophenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(4-bromo-3-cyanophenyl)-4-methylbenzenesulfonamide (CID 169370042) is N-(4-bromo-3-cyanophenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-bromo-3-cyanophenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(4-bromo-3-cyanophenyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(Br)c(C#N)c2)cc1.
What is the InChIKey of N-(4-bromo-3-cyanophenyl)-4-methylbenzenesulfonamide?
The InChIKey is BDILYDJBWPMSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O2S/c1-10-2-5-13(6-3-10)20(18,19)17-12-4-7-14(15)11(8-12)9-16/h2-8,17H,1H3.
What are the key properties of N-(4-bromo-3-cyanophenyl)-4-methylbenzenesulfonamide?
N-(4-bromo-3-cyanophenyl)-4-methylbenzenesulfonamide has a molecular weight of 351.23 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-cyanophenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 169370042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).