5-chloro-2-ethoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide

C15H22ClNO3S — CID 40793418

IUPAC5-chloro-2-ethoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide
SMILESCCOc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C
InChIInChI=1S/C15H22ClNO3S/c1-3-20-14-9-8-12(16)10-15(14)21(18,19)17-13-7-5-4-6-11(13)2/h8-11,13,17H,3-7H2,1-2H3/t11-,13+/m0/s1
InChIKeyQMCSYJJQFHJPAW-WCQYABFASA-N
MW331.87 g/mol
LogP3.60
Rot. Bonds5

About 5-chloro-2-ethoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide

5-chloro-2-ethoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide (PubChem CID 40793418) has the molecular formula C15H22ClNO3S and a molecular weight of 331.87 g/mol. Its IUPAC name is 5-chloro-2-ethoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-ethoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide
PubChem CID40793418
Molecular FormulaC15H22ClNO3S
Molecular Weight331.87 g/mol
Exact Mass331.10
IUPAC Name5-chloro-2-ethoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide
SMILESCCOc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C
InChIInChI=1S/C15H22ClNO3S/c1-3-20-14-9-8-12(16)10-15(14)21(18,19)17-13-7-5-4-6-11(13)2/h8-11,13,17H,3-7H2,1-2H3/t11-,13+/m0/s1
InChIKeyQMCSYJJQFHJPAW-WCQYABFASA-N
XLogP3.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-diethoxy-N-(2-methylcyclohexyl)benzenesulfonamide
CID 50876225
5-chloro-4-methyl-N-[(1R,2R)-2-methylcyclohexyl]-2-propoxybenzenesulfonamide
CID 124680601
N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]benzamide
CID 42997457
2,5-dimethoxy-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 768909
3-(aminomethyl)-4-ethoxy-N-(2-methylcyclopentyl)benzenesulfonamide
CID 106064265
2-[4-chloro-2-[(2-methylpiperidin-3-yl)sulfamoyl]phenoxy]acetamide
CID 120726795
5-tert-butyl-2-methoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 39116300
5-fluoro-2-methoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 7343981
5-amino-N-(2,3-dimethylcyclopentyl)-2-ethoxybenzenesulfonamide
CID 64921051
2,4,5-trichloro-N-(2-methylcyclohexyl)benzenesulfonamide
CID 19681997
2-methoxy-4,5-dimethyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 2984852
N-[(1S,2S)-2-methylcyclohexyl]-3,4-dipropoxybenzenesulfonamide
CID 95864987

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide?
The IUPAC name of 5-chloro-2-ethoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide (CID 40793418) is 5-chloro-2-ethoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-ethoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide?
The canonical SMILES for 5-chloro-2-ethoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide is CCOc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C.
What is the InChIKey of 5-chloro-2-ethoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide?
The InChIKey is QMCSYJJQFHJPAW-WCQYABFASA-N. The full InChI is InChI=1S/C15H22ClNO3S/c1-3-20-14-9-8-12(16)10-15(14)21(18,19)17-13-7-5-4-6-11(13)2/h8-11,13,17H,3-7H2,1-2H3/t11-,13+/m0/s1.
What are the key properties of 5-chloro-2-ethoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide?
5-chloro-2-ethoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide has a molecular weight of 331.87 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide is sourced from PubChem (CID 40793418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).