4-bromo-3-cyclohexylbenzenesulfonamide

C12H16BrNO2S — CID 142775607

IUPAC4-bromo-3-cyclohexylbenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Br)c(C2CCCCC2)c1
InChIInChI=1S/C12H16BrNO2S/c13-12-7-6-10(17(14,15)16)8-11(12)9-4-2-1-3-5-9/h6-9H,1-5H2,(H2,14,15,16)
InChIKeyJBAZMNGFTGFKEZ-UHFFFAOYSA-N
MW318.24 g/mol
LogP3.14
Rot. Bonds2

About 4-bromo-3-cyclohexylbenzenesulfonamide

4-bromo-3-cyclohexylbenzenesulfonamide (PubChem CID 142775607) has the molecular formula C12H16BrNO2S and a molecular weight of 318.24 g/mol. Its IUPAC name is 4-bromo-3-cyclohexylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-3-cyclohexylbenzenesulfonamide
PubChem CID142775607
Molecular FormulaC12H16BrNO2S
Molecular Weight318.24 g/mol
Exact Mass317.01
IUPAC Name4-bromo-3-cyclohexylbenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Br)c(C2CCCCC2)c1
InChIInChI=1S/C12H16BrNO2S/c13-12-7-6-10(17(14,15)16)8-11(12)9-4-2-1-3-5-9/h6-9H,1-5H2,(H2,14,15,16)
InChIKeyJBAZMNGFTGFKEZ-UHFFFAOYSA-N
XLogP3.14
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1,3-dicyclohexyl-9-oxofluorene-2,7-disulfonamide
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3-bromo-4-(cyclopentylsulfonylamino)benzenesulfonamide
CID 114447917
3-cyclohexyl-1-methylindazole-6-sulfonamide
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4-chloro-3-(cyclohexylamino)benzenesulfonamide
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3-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]-4-bromobenzenesulfonamide
CID 9295119
3-N-(2-aminocyclohexyl)benzene-1,3-disulfonamide
CID 61037249
2-cyclobutylethyl 2-bromo-5-sulfamoylbenzoate
CID 106207160
2-cyclopentyl-1-N-[[2-(methylamino)pyrimidin-4-yl]methyl]benzene-1,4-disulfonamide
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4-amino-3,4-dihydro-2H-chromene-6-sulfonamide
CID 43186511

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-cyclohexylbenzenesulfonamide?
The IUPAC name of 4-bromo-3-cyclohexylbenzenesulfonamide (CID 142775607) is 4-bromo-3-cyclohexylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-3-cyclohexylbenzenesulfonamide?
The canonical SMILES for 4-bromo-3-cyclohexylbenzenesulfonamide is NS(=O)(=O)c1ccc(Br)c(C2CCCCC2)c1.
What is the InChIKey of 4-bromo-3-cyclohexylbenzenesulfonamide?
The InChIKey is JBAZMNGFTGFKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2S/c13-12-7-6-10(17(14,15)16)8-11(12)9-4-2-1-3-5-9/h6-9H,1-5H2,(H2,14,15,16).
What are the key properties of 4-bromo-3-cyclohexylbenzenesulfonamide?
4-bromo-3-cyclohexylbenzenesulfonamide has a molecular weight of 318.24 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-cyclohexylbenzenesulfonamide is sourced from PubChem (CID 142775607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).