N-(5-bromo-2-cyanophenyl)-3,4-dimethylbenzenesulfonamide

C15H13BrN2O2S — CID 104878072

IUPACN-(5-bromo-2-cyanophenyl)-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(Br)ccc2C#N)cc1C
InChIInChI=1S/C15H13BrN2O2S/c1-10-3-6-14(7-11(10)2)21(19,20)18-15-8-13(16)5-4-12(15)9-17/h3-8,18H,1-2H3
InChIKeyUVEKZLGXGMKCHT-UHFFFAOYSA-N
MW365.25 g/mol
LogP3.74
Rot. Bonds3

About N-(5-bromo-2-cyanophenyl)-3,4-dimethylbenzenesulfonamide

N-(5-bromo-2-cyanophenyl)-3,4-dimethylbenzenesulfonamide (PubChem CID 104878072) has the molecular formula C15H13BrN2O2S and a molecular weight of 365.25 g/mol. Its IUPAC name is N-(5-bromo-2-cyanophenyl)-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-cyanophenyl)-3,4-dimethylbenzenesulfonamide
PubChem CID104878072
Molecular FormulaC15H13BrN2O2S
Molecular Weight365.25 g/mol
Exact Mass363.99
IUPAC NameN-(5-bromo-2-cyanophenyl)-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(Br)ccc2C#N)cc1C
InChIInChI=1S/C15H13BrN2O2S/c1-10-3-6-14(7-11(10)2)21(19,20)18-15-8-13(16)5-4-12(15)9-17/h3-8,18H,1-2H3
InChIKeyUVEKZLGXGMKCHT-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-methylphenyl)-4-cyano-3-methylbenzenesulfonamide
CID 106831795
4-amino-N-(4-bromo-2-cyanophenyl)-3-methylbenzenesulfonamide
CID 82692234
3-bromo-N-(5-bromo-2-cyanophenyl)-4-chlorobenzenesulfonamide
CID 107798442
N-(4-bromo-2-chlorophenyl)-4-cyano-3-methylbenzenesulfonamide
CID 106831780
N-(5-bromo-2-cyanophenyl)-3,5-dichlorobenzenesulfonamide
CID 107798417
5-bromo-N-(2-cyanophenyl)-2-methylbenzenesulfonamide
CID 8513690
4-bromo-N-(5-bromo-2-cyanophenyl)-2-chlorobenzenesulfonamide
CID 107798445
4-bromo-1-cyano-2-(dimethylsulfamoylamino)benzene
CID 107798443
4-cyano-N-(2-iodophenyl)-3-methylbenzenesulfonamide
CID 106831745
3-bromo-4-chloro-N-(5-chloro-2-cyanophenyl)benzenesulfonamide
CID 106605832
N-(2-chloro-4-cyanophenyl)-3,4-dimethylbenzenesulfonamide
CID 103791853
N-(4-cyanophenyl)-3,4-dimethylbenzenesulfonamide
CID 26969626

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-cyanophenyl)-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(5-bromo-2-cyanophenyl)-3,4-dimethylbenzenesulfonamide (CID 104878072) is N-(5-bromo-2-cyanophenyl)-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(5-bromo-2-cyanophenyl)-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(5-bromo-2-cyanophenyl)-3,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(Br)ccc2C#N)cc1C.
What is the InChIKey of N-(5-bromo-2-cyanophenyl)-3,4-dimethylbenzenesulfonamide?
The InChIKey is UVEKZLGXGMKCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2S/c1-10-3-6-14(7-11(10)2)21(19,20)18-15-8-13(16)5-4-12(15)9-17/h3-8,18H,1-2H3.
What are the key properties of N-(5-bromo-2-cyanophenyl)-3,4-dimethylbenzenesulfonamide?
N-(5-bromo-2-cyanophenyl)-3,4-dimethylbenzenesulfonamide 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-cyanophenyl)-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 104878072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).