4-bromo-2-chloro-N-(2-methylcyclohexyl)benzenesulfonamide

C13H17BrClNO2S — CID 60640100

IUPAC4-bromo-2-chloro-N-(2-methylcyclohexyl)benzenesulfonamide
SMILESCC1CCCCC1NS(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H17BrClNO2S/c1-9-4-2-3-5-12(9)16-19(17,18)13-7-6-10(14)8-11(13)15/h6-9,12,16H,2-5H2,1H3
InChIKeyCWIBKNPZGRRZHV-UHFFFAOYSA-N
MW366.71 g/mol
LogP3.96
Rot. Bonds3

About 4-bromo-2-chloro-N-(2-methylcyclohexyl)benzenesulfonamide

4-bromo-2-chloro-N-(2-methylcyclohexyl)benzenesulfonamide (PubChem CID 60640100) has the molecular formula C13H17BrClNO2S and a molecular weight of 366.71 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(2-methylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(2-methylcyclohexyl)benzenesulfonamide
PubChem CID60640100
Molecular FormulaC13H17BrClNO2S
Molecular Weight366.71 g/mol
Exact Mass364.99
IUPAC Name4-bromo-2-chloro-N-(2-methylcyclohexyl)benzenesulfonamide
SMILESCC1CCCCC1NS(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H17BrClNO2S/c1-9-4-2-3-5-12(9)16-19(17,18)13-7-6-10(14)8-11(13)15/h6-9,12,16H,2-5H2,1H3
InChIKeyCWIBKNPZGRRZHV-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

2,4,5-trichloro-N-(2-methylcyclohexyl)benzenesulfonamide
CID 19681997
4-bromo-2-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 116528616
N-[2-(aminomethyl)cyclopentyl]-4-bromo-2-chlorobenzenesulfonamide;hydrochloride
CID 119985581
4-bromo-2-chloro-N-(2-cyanocyclopentyl)benzenesulfonamide
CID 62963448
4,5-dichloro-2-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 39116281
4-chloro-N-[(1R,2S)-2-methylcyclohexyl]naphthalene-1-sulfonamide
CID 39116315
4-bromo-2-chloro-N-(2,2-dimethylcyclohexyl)benzenesulfonamide
CID 79872495
4-amino-2-bromo-N-(2-methylcyclohexyl)benzenesulfonamide
CID 43256037
N-(2-aminocycloheptyl)-2-chloro-4-methylbenzenesulfonamide
CID 63258487
4-bromo-2-chloro-N-cyclopent-3-en-1-ylbenzenesulfonamide
CID 115695674
4-bromo-2-chloro-N-(cyclopentylmethyl)benzenesulfonamide
CID 46406690
3-bromo-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 106612264

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(2-methylcyclohexyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-(2-methylcyclohexyl)benzenesulfonamide (CID 60640100) is 4-bromo-2-chloro-N-(2-methylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-(2-methylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-(2-methylcyclohexyl)benzenesulfonamide is CC1CCCCC1NS(=O)(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-(2-methylcyclohexyl)benzenesulfonamide?
The InChIKey is CWIBKNPZGRRZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNO2S/c1-9-4-2-3-5-12(9)16-19(17,18)13-7-6-10(14)8-11(13)15/h6-9,12,16H,2-5H2,1H3.
What are the key properties of 4-bromo-2-chloro-N-(2-methylcyclohexyl)benzenesulfonamide?
4-bromo-2-chloro-N-(2-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 4-bromo-2-chloro-N-(2-methylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 60640100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).