4-methyl-N-[(1S,2S)-2-methyl-2-propanoylcyclohexyl]benzenesulfonamide

C17H25NO3S — CID 134926580

IUPAC4-methyl-N-[(1S,2S)-2-methyl-2-propanoylcyclohexyl]benzenesulfonamide
SMILESCCC(=O)[C@@]1(C)CCCC[C@@H]1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H25NO3S/c1-4-16(19)17(3)12-6-5-7-15(17)18-22(20,21)14-10-8-13(2)9-11-14/h8-11,15,18H,4-7,12H2,1-3H3/t15-,17-/m0/s1
InChIKeyXHJKIUWOBGZCRW-RDJZCZTQSA-N
MW323.46 g/mol
LogP3.20
Rot. Bonds5

About 4-methyl-N-[(1S,2S)-2-methyl-2-propanoylcyclohexyl]benzenesulfonamide

4-methyl-N-[(1S,2S)-2-methyl-2-propanoylcyclohexyl]benzenesulfonamide (PubChem CID 134926580) has the molecular formula C17H25NO3S and a molecular weight of 323.46 g/mol. Its IUPAC name is 4-methyl-N-[(1S,2S)-2-methyl-2-propanoylcyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(1S,2S)-2-methyl-2-propanoylcyclohexyl]benzenesulfonamide
PubChem CID134926580
Molecular FormulaC17H25NO3S
Molecular Weight323.46 g/mol
Exact Mass323.16
IUPAC Name4-methyl-N-[(1S,2S)-2-methyl-2-propanoylcyclohexyl]benzenesulfonamide
SMILESCCC(=O)[C@@]1(C)CCCC[C@@H]1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H25NO3S/c1-4-16(19)17(3)12-6-5-7-15(17)18-22(20,21)14-10-8-13(2)9-11-14/h8-11,15,18H,4-7,12H2,1-3H3/t15-,17-/m0/s1
InChIKeyXHJKIUWOBGZCRW-RDJZCZTQSA-N
XLogP3.20
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2S)-2-ethyl-2-propanoylcyclohexyl]-4-methylbenzenesulfonamide
CID 134984235
4-methyl-N-[(3R,4R)-1-oxaspiro[2.5]octan-4-yl]benzenesulfonamide
CID 11845877
4-methyl-N-[(6S,11S)-5-oxospiro[5.5]undecan-11-yl]benzenesulfonamide
CID 15529692
1-methyl-2-[(1-methylpyrrol-3-yl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 83214672
1-methyl-2-(pyridin-3-ylsulfonylamino)cyclohexane-1-carboxylic acid
CID 83214671
3-methyl-4-[(4-methylphenyl)sulfonylamino]oxolane-3-carboxylic acid
CID 66248133
2-[(2-fluoro-5-methylphenyl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82763507
N-[(1S,3R)-3-amino-2,2,3-trimethylcyclopentyl]-4-methylbenzenesulfonamide
CID 102363883
N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-4-methylbenzenesulfonamide
CID 110125809
N-[(1S,2S)-2-formyl-2-phenylcyclopentyl]-4-methylbenzenesulfonamide
CID 15529713
N-[(1S,2S,5R)-2-amino-2-methyl-5-prop-1-en-2-ylcyclohexyl]-4-methylbenzenesulfonamide
CID 102100745
N-(4-methylphenyl)sulfonylcyclopropanecarboxamide
CID 46179849

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1S,2S)-2-methyl-2-propanoylcyclohexyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(1S,2S)-2-methyl-2-propanoylcyclohexyl]benzenesulfonamide (CID 134926580) is 4-methyl-N-[(1S,2S)-2-methyl-2-propanoylcyclohexyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(1S,2S)-2-methyl-2-propanoylcyclohexyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(1S,2S)-2-methyl-2-propanoylcyclohexyl]benzenesulfonamide is CCC(=O)[C@@]1(C)CCCC[C@@H]1NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-[(1S,2S)-2-methyl-2-propanoylcyclohexyl]benzenesulfonamide?
The InChIKey is XHJKIUWOBGZCRW-RDJZCZTQSA-N. The full InChI is InChI=1S/C17H25NO3S/c1-4-16(19)17(3)12-6-5-7-15(17)18-22(20,21)14-10-8-13(2)9-11-14/h8-11,15,18H,4-7,12H2,1-3H3/t15-,17-/m0/s1.
What are the key properties of 4-methyl-N-[(1S,2S)-2-methyl-2-propanoylcyclohexyl]benzenesulfonamide?
4-methyl-N-[(1S,2S)-2-methyl-2-propanoylcyclohexyl]benzenesulfonamide has a molecular weight of 323.46 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1S,2S)-2-methyl-2-propanoylcyclohexyl]benzenesulfonamide is sourced from PubChem (CID 134926580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).