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

C17H20ClNO2S — CID 39116315

IUPAC4-chloro-N-[(1R,2S)-2-methylcyclohexyl]naphthalene-1-sulfonamide
SMILESC[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C17H20ClNO2S/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
InChIKeyXWMFYGOLOJKMSD-BLLLJJGKSA-N
MW337.87 g/mol
LogP4.35
Rot. Bonds3

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

4-chloro-N-[(1R,2S)-2-methylcyclohexyl]naphthalene-1-sulfonamide (PubChem CID 39116315) has the molecular formula C17H20ClNO2S and a molecular weight of 337.87 g/mol. Its IUPAC name is 4-chloro-N-[(1R,2S)-2-methylcyclohexyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(1R,2S)-2-methylcyclohexyl]naphthalene-1-sulfonamide
PubChem CID39116315
Molecular FormulaC17H20ClNO2S
Molecular Weight337.87 g/mol
Exact Mass337.09
IUPAC Name4-chloro-N-[(1R,2S)-2-methylcyclohexyl]naphthalene-1-sulfonamide
SMILESC[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C17H20ClNO2S/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
InChIKeyXWMFYGOLOJKMSD-BLLLJJGKSA-N
XLogP4.35
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.87
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[(1R,2S)-2-methylcyclohexyl]naphthalene-1-sulfonamide
CID 39116311
4-bromo-2-chloro-N-(2-methylcyclohexyl)benzenesulfonamide
CID 60640100
2,4,5-trichloro-N-(2-methylcyclohexyl)benzenesulfonamide
CID 19681997
4,5-dichloro-2-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 39116281
4-chloro-N-piperidin-4-ylnaphthalene-1-sulfonamide;hydrochloride
CID 119960548
2-cyano-N-(2-methylcyclohexyl)benzenesulfonamide
CID 43176222
3-bromo-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 106612264
methyl 2-[(2-methylcyclohexyl)sulfamoyl]benzoate
CID 103600987
4-amino-2-bromo-N-(2-methylcyclohexyl)benzenesulfonamide
CID 43256037
4-chloro-3-[(2-methylcyclopentyl)sulfamoyl]benzenecarbothioamide
CID 80704139
5-amino-3-chloro-2-fluoro-N-(2-methylcyclohexyl)benzenesulfonamide
CID 43257648
4-amino-2,6-dichloro-N-(2-methylcyclohexyl)benzenesulfonamide
CID 43257649

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1R,2S)-2-methylcyclohexyl]naphthalene-1-sulfonamide?
The IUPAC name of 4-chloro-N-[(1R,2S)-2-methylcyclohexyl]naphthalene-1-sulfonamide (CID 39116315) is 4-chloro-N-[(1R,2S)-2-methylcyclohexyl]naphthalene-1-sulfonamide.
What is the SMILES notation for 4-chloro-N-[(1R,2S)-2-methylcyclohexyl]naphthalene-1-sulfonamide?
The canonical SMILES for 4-chloro-N-[(1R,2S)-2-methylcyclohexyl]naphthalene-1-sulfonamide is C[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Cl)c2ccccc12.
What is the InChIKey of 4-chloro-N-[(1R,2S)-2-methylcyclohexyl]naphthalene-1-sulfonamide?
The InChIKey is XWMFYGOLOJKMSD-BLLLJJGKSA-N. The full InChI is InChI=1S/C17H20ClNO2S/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-chloro-N-[(1R,2S)-2-methylcyclohexyl]naphthalene-1-sulfonamide?
4-chloro-N-[(1R,2S)-2-methylcyclohexyl]naphthalene-1-sulfonamide has a molecular weight of 337.87 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1R,2S)-2-methylcyclohexyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 39116315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).