N-(5-bromo-2-methylphenyl)-4-cyano-3-methylbenzenesulfonamide

C15H13BrN2O2S — CID 106831795

IUPACN-(5-bromo-2-methylphenyl)-4-cyano-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cc(Br)ccc2C)ccc1C#N
InChIInChI=1S/C15H13BrN2O2S/c1-10-3-5-13(16)8-15(10)18-21(19,20)14-6-4-12(9-17)11(2)7-14/h3-8,18H,1-2H3
InChIKeyIJQUDZKVKRTQNA-UHFFFAOYSA-N
MW365.25 g/mol
LogP3.74
Rot. Bonds3

About N-(5-bromo-2-methylphenyl)-4-cyano-3-methylbenzenesulfonamide

N-(5-bromo-2-methylphenyl)-4-cyano-3-methylbenzenesulfonamide (PubChem CID 106831795) has the molecular formula C15H13BrN2O2S and a molecular weight of 365.25 g/mol. Its IUPAC name is N-(5-bromo-2-methylphenyl)-4-cyano-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-methylphenyl)-4-cyano-3-methylbenzenesulfonamide
PubChem CID106831795
Molecular FormulaC15H13BrN2O2S
Molecular Weight365.25 g/mol
Exact Mass363.99
IUPAC NameN-(5-bromo-2-methylphenyl)-4-cyano-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cc(Br)ccc2C)ccc1C#N
InChIInChI=1S/C15H13BrN2O2S/c1-10-3-5-13(16)8-15(10)18-21(19,20)14-6-4-12(9-17)11(2)7-14/h3-8,18H,1-2H3
InChIKeyIJQUDZKVKRTQNA-UHFFFAOYSA-N
XLogP3.74
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-cyanophenyl)-3,4-dimethylbenzenesulfonamide
CID 104878072
N-(4-bromo-2-chlorophenyl)-4-cyano-3-methylbenzenesulfonamide
CID 106831780
4-amino-N-(4-bromo-2-cyanophenyl)-3-methylbenzenesulfonamide
CID 82692234
4-cyano-N-(2-iodophenyl)-3-methylbenzenesulfonamide
CID 106831745
4-cyano-3-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 106831770
4-cyano-N-(2-hydroxy-5-methylphenyl)-3-methylbenzenesulfonamide
CID 106831820
4-cyano-N,3-dimethylbenzenesulfonamide
CID 106832880
N-(5-bromo-2-methylphenyl)-3,4-difluorobenzenesulfonamide
CID 43806698
3-bromo-N-(5-bromo-2-cyanophenyl)-4-chlorobenzenesulfonamide
CID 107798442
3-amino-4-bromo-N-(5-bromo-2-methylphenyl)benzenesulfonamide
CID 115328843
N-(6-bromo-2-pyridinyl)-4-cyano-3-methylbenzenesulfonamide
CID 106920444
4-cyano-N-[2-(hydroxymethyl)phenyl]-3-methylbenzenesulfonamide
CID 106920475

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methylphenyl)-4-cyano-3-methylbenzenesulfonamide?
The IUPAC name of N-(5-bromo-2-methylphenyl)-4-cyano-3-methylbenzenesulfonamide (CID 106831795) is N-(5-bromo-2-methylphenyl)-4-cyano-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-bromo-2-methylphenyl)-4-cyano-3-methylbenzenesulfonamide?
The canonical SMILES for N-(5-bromo-2-methylphenyl)-4-cyano-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2cc(Br)ccc2C)ccc1C#N.
What is the InChIKey of N-(5-bromo-2-methylphenyl)-4-cyano-3-methylbenzenesulfonamide?
The InChIKey is IJQUDZKVKRTQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2S/c1-10-3-5-13(16)8-15(10)18-21(19,20)14-6-4-12(9-17)11(2)7-14/h3-8,18H,1-2H3.
What are the key properties of N-(5-bromo-2-methylphenyl)-4-cyano-3-methylbenzenesulfonamide?
N-(5-bromo-2-methylphenyl)-4-cyano-3-methylbenzenesulfonamide has a molecular weight of 365.25 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methylphenyl)-4-cyano-3-methylbenzenesulfonamide is sourced from PubChem (CID 106831795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).