5-tert-butyl-2-methoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide

C18H29NO3S — CID 39116300

IUPAC5-tert-butyl-2-methoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide
SMILESCOc1ccc(C(C)(C)C)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C
InChIInChI=1S/C18H29NO3S/c1-13-8-6-7-9-15(13)19-23(20,21)17-12-14(18(2,3)4)10-11-16(17)22-5/h10-13,15,19H,6-9H2,1-5H3/t13-,15+/m0/s1
InChIKeyGUHCMINNECRKKP-DZGCQCFKSA-N
MW339.50 g/mol
LogP3.85
Rot. Bonds4

About 5-tert-butyl-2-methoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide

5-tert-butyl-2-methoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide (PubChem CID 39116300) has the molecular formula C18H29NO3S and a molecular weight of 339.50 g/mol. Its IUPAC name is 5-tert-butyl-2-methoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name5-tert-butyl-2-methoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide
PubChem CID39116300
Molecular FormulaC18H29NO3S
Molecular Weight339.50 g/mol
Exact Mass339.19
IUPAC Name5-tert-butyl-2-methoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide
SMILESCOc1ccc(C(C)(C)C)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C
InChIInChI=1S/C18H29NO3S/c1-13-8-6-7-9-15(13)19-23(20,21)17-12-14(18(2,3)4)10-11-16(17)22-5/h10-13,15,19H,6-9H2,1-5H3/t13-,15+/m0/s1
InChIKeyGUHCMINNECRKKP-DZGCQCFKSA-N
XLogP3.85
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.50
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-tert-butyl-2-methoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide 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

2,5-dimethoxy-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 768909
5-fluoro-2-methoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 7343981
2-methoxy-4,5-dimethyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 2984852
5-tert-butyl-N-cyclopropyl-2-methoxybenzenesulfonamide
CID 110757527
4-methoxy-3-[[(1R,2S)-2-methylcyclohexyl]sulfamoyl]benzoate
CID 2466564
cyanomethyl 4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]benzoate
CID 46607885
4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-(2,4,6-trimethylphenyl)benzamide
CID 42997848
4-methoxy-3-[[(1S,2S)-2-methylcyclohexyl]sulfamoyl]-N-prop-2-enylbenzamide
CID 30282957
N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]benzamide
CID 42997457
N-(2-aminocyclohexyl)-5-bromo-2-methoxybenzenesulfonamide
CID 61038243
4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 46644366
4-fluoro-3-methoxy-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 7389210

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-methoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide?
The IUPAC name of 5-tert-butyl-2-methoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide (CID 39116300) is 5-tert-butyl-2-methoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide.
What is the SMILES notation for 5-tert-butyl-2-methoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide?
The canonical SMILES for 5-tert-butyl-2-methoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide is COc1ccc(C(C)(C)C)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C.
What is the InChIKey of 5-tert-butyl-2-methoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide?
The InChIKey is GUHCMINNECRKKP-DZGCQCFKSA-N. The full InChI is InChI=1S/C18H29NO3S/c1-13-8-6-7-9-15(13)19-23(20,21)17-12-14(18(2,3)4)10-11-16(17)22-5/h10-13,15,19H,6-9H2,1-5H3/t13-,15+/m0/s1.
What are the key properties of 5-tert-butyl-2-methoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide?
5-tert-butyl-2-methoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide has a molecular weight of 339.50 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-methoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide is sourced from PubChem (CID 39116300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).