4-bromo-N-[(1R,2S)-2-methylcyclohexyl]naphthalene-1-sulfonamide

C17H20BrNO2S — CID 39116311

IUPAC4-bromo-N-[(1R,2S)-2-methylcyclohexyl]naphthalene-1-sulfonamide
SMILESC[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Br)c2ccccc12
InChIInChI=1S/C17H20BrNO2S/c1-12-6-2-5-9-16(12)19-22(20,21)17-11-10-15(18)13-7-3-4-8-14(13)17/h3-4,7-8,10-12,16,19H,2,5-6,9H2,1H3/t12-,16+/m0/s1
InChIKeyZOWSVXDFVPHNMU-BLLLJJGKSA-N
MW382.32 g/mol
LogP4.46
Rot. Bonds3

About 4-bromo-N-[(1R,2S)-2-methylcyclohexyl]naphthalene-1-sulfonamide

4-bromo-N-[(1R,2S)-2-methylcyclohexyl]naphthalene-1-sulfonamide (PubChem CID 39116311) has the molecular formula C17H20BrNO2S and a molecular weight of 382.32 g/mol. Its IUPAC name is 4-bromo-N-[(1R,2S)-2-methylcyclohexyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound Name4-bromo-N-[(1R,2S)-2-methylcyclohexyl]naphthalene-1-sulfonamide
PubChem CID39116311
Molecular FormulaC17H20BrNO2S
Molecular Weight382.32 g/mol
Exact Mass381.04
IUPAC Name4-bromo-N-[(1R,2S)-2-methylcyclohexyl]naphthalene-1-sulfonamide
SMILESC[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Br)c2ccccc12
InChIInChI=1S/C17H20BrNO2S/c1-12-6-2-5-9-16(12)19-22(20,21)17-11-10-15(18)13-7-3-4-8-14(13)17/h3-4,7-8,10-12,16,19H,2,5-6,9H2,1H3/t12-,16+/m0/s1
InChIKeyZOWSVXDFVPHNMU-BLLLJJGKSA-N
XLogP4.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.32
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-bromo-N-[(1R,2S)-2-methylcyclohexyl]naphthalene-1-sulfonamide 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

4-chloro-N-[(1R,2S)-2-methylcyclohexyl]naphthalene-1-sulfonamide
CID 39116315
4-bromo-N-cyclopentylnaphthalene-1-sulfonamide
CID 91800387
4-amino-2-bromo-N-(2-methylcyclohexyl)benzenesulfonamide
CID 43256037
4-bromo-2-chloro-N-(2-methylcyclohexyl)benzenesulfonamide
CID 60640100
2-cyano-N-(2-methylcyclohexyl)benzenesulfonamide
CID 43176222
2-bromo-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]benzenesulfonamide
CID 11928444
2,5-dibromo-4-methyl-N-(2-methylcycloheptyl)benzenesulfonamide
CID 81435568
methyl 2-[(2-methylcyclohexyl)sulfamoyl]benzoate
CID 103600987
4-bromo-2-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 116528616
4-bromo-3-[(2-methylcyclopentyl)sulfamoyl]benzoic acid
CID 63281568
2,4,5-trichloro-N-(2-methylcyclohexyl)benzenesulfonamide
CID 19681997
4-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 11097522

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(1R,2S)-2-methylcyclohexyl]naphthalene-1-sulfonamide?
The IUPAC name of 4-bromo-N-[(1R,2S)-2-methylcyclohexyl]naphthalene-1-sulfonamide (CID 39116311) is 4-bromo-N-[(1R,2S)-2-methylcyclohexyl]naphthalene-1-sulfonamide.
What is the SMILES notation for 4-bromo-N-[(1R,2S)-2-methylcyclohexyl]naphthalene-1-sulfonamide?
The canonical SMILES for 4-bromo-N-[(1R,2S)-2-methylcyclohexyl]naphthalene-1-sulfonamide is C[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Br)c2ccccc12.
What is the InChIKey of 4-bromo-N-[(1R,2S)-2-methylcyclohexyl]naphthalene-1-sulfonamide?
The InChIKey is ZOWSVXDFVPHNMU-BLLLJJGKSA-N. The full InChI is InChI=1S/C17H20BrNO2S/c1-12-6-2-5-9-16(12)19-22(20,21)17-11-10-15(18)13-7-3-4-8-14(13)17/h3-4,7-8,10-12,16,19H,2,5-6,9H2,1H3/t12-,16+/m0/s1.
What are the key properties of 4-bromo-N-[(1R,2S)-2-methylcyclohexyl]naphthalene-1-sulfonamide?
4-bromo-N-[(1R,2S)-2-methylcyclohexyl]naphthalene-1-sulfonamide has a molecular weight of 382.32 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(1R,2S)-2-methylcyclohexyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 39116311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).