2-bromo-3-chloro-N-cyclohexylbenzenesulfonamide

C12H15BrClNO2S — CID 68871797

IUPAC2-bromo-3-chloro-N-cyclohexylbenzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1)c1cccc(Cl)c1Br
InChIInChI=1S/C12H15BrClNO2S/c13-12-10(14)7-4-8-11(12)18(16,17)15-9-5-2-1-3-6-9/h4,7-9,15H,1-3,5-6H2
InChIKeyAIPKSHDKRUDTIB-UHFFFAOYSA-N
MW352.68 g/mol
LogP3.71
Rot. Bonds3

About 2-bromo-3-chloro-N-cyclohexylbenzenesulfonamide

2-bromo-3-chloro-N-cyclohexylbenzenesulfonamide (PubChem CID 68871797) has the molecular formula C12H15BrClNO2S and a molecular weight of 352.68 g/mol. Its IUPAC name is 2-bromo-3-chloro-N-cyclohexylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-3-chloro-N-cyclohexylbenzenesulfonamide
PubChem CID68871797
Molecular FormulaC12H15BrClNO2S
Molecular Weight352.68 g/mol
Exact Mass350.97
IUPAC Name2-bromo-3-chloro-N-cyclohexylbenzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1)c1cccc(Cl)c1Br
InChIInChI=1S/C12H15BrClNO2S/c13-12-10(14)7-4-8-11(12)18(16,17)15-9-5-2-1-3-6-9/h4,7-9,15H,1-3,5-6H2
InChIKeyAIPKSHDKRUDTIB-UHFFFAOYSA-N
XLogP3.71
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.68
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-bromo-3-chloro-N-cyclohexylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-bromo-3-chlorobenzenesulfonamide
CID 120707749
N-[2-(aminomethyl)cyclopentyl]-2-bromo-3-chlorobenzenesulfonamide;hydrochloride
CID 120711063
4-bromo-2,6-dichloro-N-cyclohexylbenzenesulfonamide
CID 60640000
2-chloro-N-piperidin-4-ylbenzenesulfonamide
CID 28811083
N-cyclohexylnaphthalene-1-sulfonamide
CID 3812052
4,5-dibromo-1-N,2-N-dicyclohexylbenzene-1,2-disulfonamide
CID 12890971
2-amino-N-cycloheptylbenzenesulfonamide
CID 28590104
2-chloro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960748
2-chloro-N-cyclobutylpyridine-3-sulfonamide
CID 62414188
N-cyclohexyl-2-[[2-(cyclohexylsulfamoyl)phenyl]diselanyl]benzenesulfonamide
CID 10908359
4-chloro-N-cyclohexylpyridine-3-sulfonamide
CID 10492602
2-(cycloheptylamino)-N-cyclopropylbenzenesulfonamide
CID 43454674

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-chloro-N-cyclohexylbenzenesulfonamide?
The IUPAC name of 2-bromo-3-chloro-N-cyclohexylbenzenesulfonamide (CID 68871797) is 2-bromo-3-chloro-N-cyclohexylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-3-chloro-N-cyclohexylbenzenesulfonamide?
The canonical SMILES for 2-bromo-3-chloro-N-cyclohexylbenzenesulfonamide is O=S(=O)(NC1CCCCC1)c1cccc(Cl)c1Br.
What is the InChIKey of 2-bromo-3-chloro-N-cyclohexylbenzenesulfonamide?
The InChIKey is AIPKSHDKRUDTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO2S/c13-12-10(14)7-4-8-11(12)18(16,17)15-9-5-2-1-3-6-9/h4,7-9,15H,1-3,5-6H2.
What are the key properties of 2-bromo-3-chloro-N-cyclohexylbenzenesulfonamide?
2-bromo-3-chloro-N-cyclohexylbenzenesulfonamide has a molecular weight of 352.68 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-chloro-N-cyclohexylbenzenesulfonamide is sourced from PubChem (CID 68871797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).