N-(4-bromo-3,5-dimethylphenyl)-4-chlorobenzenesulfonamide

C14H13BrClNO2S — CID 107575174

IUPACN-(4-bromo-3,5-dimethylphenyl)-4-chlorobenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(Cl)cc2)cc(C)c1Br
InChIInChI=1S/C14H13BrClNO2S/c1-9-7-12(8-10(2)14(9)15)17-20(18,19)13-5-3-11(16)4-6-13/h3-8,17H,1-2H3
InChIKeyKBYWYUNPLGSVHS-UHFFFAOYSA-N
MW374.69 g/mol
LogP4.52
Rot. Bonds3

About N-(4-bromo-3,5-dimethylphenyl)-4-chlorobenzenesulfonamide

N-(4-bromo-3,5-dimethylphenyl)-4-chlorobenzenesulfonamide (PubChem CID 107575174) has the molecular formula C14H13BrClNO2S and a molecular weight of 374.69 g/mol. Its IUPAC name is N-(4-bromo-3,5-dimethylphenyl)-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3,5-dimethylphenyl)-4-chlorobenzenesulfonamide
PubChem CID107575174
Molecular FormulaC14H13BrClNO2S
Molecular Weight374.69 g/mol
Exact Mass372.95
IUPAC NameN-(4-bromo-3,5-dimethylphenyl)-4-chlorobenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(Cl)cc2)cc(C)c1Br
InChIInChI=1S/C14H13BrClNO2S/c1-9-7-12(8-10(2)14(9)15)17-20(18,19)13-5-3-11(16)4-6-13/h3-8,17H,1-2H3
InChIKeyKBYWYUNPLGSVHS-UHFFFAOYSA-N
XLogP4.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.69
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-3,5-dichlorophenyl)-4-methylbenzenesulfonamide
CID 169370356
4-[(4-chlorophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 3637891
4-chloro-N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide
CID 4600723
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
N-(3-chloro-5-methylphenyl)-4-methylbenzenesulfonamide
CID 54422593
N-(4-chlorophenyl)-3,4-dimethylbenzenesulfonamide
CID 7985042
N-(4-chlorophenyl)-4-(ethylsulfonylamino)benzenesulfonamide
CID 22202641
3,5-dichloro-N-[4-[(4-fluoro-3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 175722864
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 22202628
4-chloro-N-phenylbenzenesulfonamide;ethane
CID 91229233
N-(4-amino-3-bromophenyl)-4-chlorobenzenesulfonamide
CID 82861438
5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-fluorobenzenesulfonamide
CID 107571249

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-4-chlorobenzenesulfonamide?
The IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-4-chlorobenzenesulfonamide (CID 107575174) is N-(4-bromo-3,5-dimethylphenyl)-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-(4-bromo-3,5-dimethylphenyl)-4-chlorobenzenesulfonamide?
The canonical SMILES for N-(4-bromo-3,5-dimethylphenyl)-4-chlorobenzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(Cl)cc2)cc(C)c1Br.
What is the InChIKey of N-(4-bromo-3,5-dimethylphenyl)-4-chlorobenzenesulfonamide?
The InChIKey is KBYWYUNPLGSVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO2S/c1-9-7-12(8-10(2)14(9)15)17-20(18,19)13-5-3-11(16)4-6-13/h3-8,17H,1-2H3.
What are the key properties of N-(4-bromo-3,5-dimethylphenyl)-4-chlorobenzenesulfonamide?
N-(4-bromo-3,5-dimethylphenyl)-4-chlorobenzenesulfonamide has a molecular weight of 374.69 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3,5-dimethylphenyl)-4-chlorobenzenesulfonamide is sourced from PubChem (CID 107575174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).