3-bromo-4-chloro-N-(3-methylcyclohexyl)benzenesulfonamide

C13H17BrClNO2S — CID 106610863

IUPAC3-bromo-4-chloro-N-(3-methylcyclohexyl)benzenesulfonamide
SMILESCC1CCCC(NS(=O)(=O)c2ccc(Cl)c(Br)c2)C1
InChIInChI=1S/C13H17BrClNO2S/c1-9-3-2-4-10(7-9)16-19(17,18)11-5-6-13(15)12(14)8-11/h5-6,8-10,16H,2-4,7H2,1H3
InChIKeyBWZZZZWNHHTRAL-UHFFFAOYSA-N
MW366.71 g/mol
LogP3.96
Rot. Bonds3

About 3-bromo-4-chloro-N-(3-methylcyclohexyl)benzenesulfonamide

3-bromo-4-chloro-N-(3-methylcyclohexyl)benzenesulfonamide (PubChem CID 106610863) has the molecular formula C13H17BrClNO2S and a molecular weight of 366.71 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(3-methylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(3-methylcyclohexyl)benzenesulfonamide
PubChem CID106610863
Molecular FormulaC13H17BrClNO2S
Molecular Weight366.71 g/mol
Exact Mass364.99
IUPAC Name3-bromo-4-chloro-N-(3-methylcyclohexyl)benzenesulfonamide
SMILESCC1CCCC(NS(=O)(=O)c2ccc(Cl)c(Br)c2)C1
InChIInChI=1S/C13H17BrClNO2S/c1-9-3-2-4-10(7-9)16-19(17,18)11-5-6-13(15)12(14)8-11/h5-6,8-10,16H,2-4,7H2,1H3
InChIKeyBWZZZZWNHHTRAL-UHFFFAOYSA-N
XLogP3.96
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.71
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(2-methylcyclohexyl)benzenesulfonamide
CID 2983780
N-[(1R)-2-amino-1-cyclohexylethyl]-5-bromo-4-chloro-2-fluorobenzenesulfonamide
CID 170964218
N-[(2R)-1-amino-3,3-dimethylbutan-2-yl]-5-bromo-4-chloro-2-fluorobenzenesulfonamide
CID 170964283
5-bromo-4-chloro-2-fluoro-N-methyl-N-[(3S)-5-methyl-1-phenylhexan-3-yl]benzenesulfonamide
CID 172179385
N-(2-amino-1-cyclohexylethyl)-5-bromo-4-chloro-2-fluorobenzenesulfonamide
CID 172179421
N-(1-amino-3,3-dimethylbutan-2-yl)-5-bromo-4-chloro-2-fluorobenzenesulfonamide
CID 174209080
3-bromo-4-chloro-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 106610649
3-bromo-4-chloro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 106610712
3-bromo-4-chloro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 106610784
3-bromo-4-chloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 106610791
3-bromo-4-chloro-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide
CID 106610872
3-bromo-4-chloro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 106610972

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(3-methylcyclohexyl)benzenesulfonamide?
The IUPAC name of 3-bromo-4-chloro-N-(3-methylcyclohexyl)benzenesulfonamide (CID 106610863) is 3-bromo-4-chloro-N-(3-methylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(3-methylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-4-chloro-N-(3-methylcyclohexyl)benzenesulfonamide is CC1CCCC(NS(=O)(=O)c2ccc(Cl)c(Br)c2)C1.
What is the InChIKey of 3-bromo-4-chloro-N-(3-methylcyclohexyl)benzenesulfonamide?
The InChIKey is BWZZZZWNHHTRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNO2S/c1-9-3-2-4-10(7-9)16-19(17,18)11-5-6-13(15)12(14)8-11/h5-6,8-10,16H,2-4,7H2,1H3.
What are the key properties of 3-bromo-4-chloro-N-(3-methylcyclohexyl)benzenesulfonamide?
3-bromo-4-chloro-N-(3-methylcyclohexyl)benzenesulfonamide has a molecular weight of 366.71 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-(3-methylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 106610863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).