4-methyl-N-[(1R,2R)-2-prop-2-enoxycyclohexyl]benzenesulfonamide

C16H23NO3S — CID 12032379

IUPAC4-methyl-N-[(1R,2R)-2-prop-2-enoxycyclohexyl]benzenesulfonamide
SMILESC=CCO[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H23NO3S/c1-3-12-20-16-7-5-4-6-15(16)17-21(18,19)14-10-8-13(2)9-11-14/h3,8-11,15-17H,1,4-7,12H2,2H3/t15-,16-/m1/s1
InChIKeyXNBKQPAPBOTXOL-HZPDHXFCSA-N
MW309.43 g/mol
LogP2.79
Rot. Bonds6

About 4-methyl-N-[(1R,2R)-2-prop-2-enoxycyclohexyl]benzenesulfonamide

4-methyl-N-[(1R,2R)-2-prop-2-enoxycyclohexyl]benzenesulfonamide (PubChem CID 12032379) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is 4-methyl-N-[(1R,2R)-2-prop-2-enoxycyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(1R,2R)-2-prop-2-enoxycyclohexyl]benzenesulfonamide
PubChem CID12032379
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC Name4-methyl-N-[(1R,2R)-2-prop-2-enoxycyclohexyl]benzenesulfonamide
SMILESC=CCO[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H23NO3S/c1-3-12-20-16-7-5-4-6-15(16)17-21(18,19)14-10-8-13(2)9-11-14/h3,8-11,15-17H,1,4-7,12H2,2H3/t15-,16-/m1/s1
InChIKeyXNBKQPAPBOTXOL-HZPDHXFCSA-N
XLogP2.79
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-(2-prop-2-enoxycyclohexyl)benzenesulfonamide
CID 51355790
[(1R,2R)-2-[(4-methylphenyl)sulfonylamino]cyclohexyl] prop-2-enoate
CID 139224223
N-[(1S,2S)-2-[bis(prop-2-enyl)amino]cyclohexyl]-4-methylbenzenesulfonamide
CID 101206913
[(1R,2R)-2-[(4-methylphenyl)sulfonylamino]cyclohexyl] 4-methylbenzoate
CID 132517688
N-[(1S,2R)-2-bromocyclohexyl]-4-methylbenzenesulfonamide
CID 134933905
4-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 11097522
N-(2-fluorocyclohexyl)-4-methylbenzenesulfonamide
CID 85434978
4-methyl-N-[(1R,2R)-2-sulfanylcyclohexyl]benzenesulfonamide
CID 25140124
N-[(1S,2S)-2-aminocyclohexyl]-4-methylbenzenesulfonamide;benzene;ruthenium
CID 87792352
4-methyl-N-[(1R,2R)-2-(4-methylphenyl)sulfonylcyclohexyl]benzenesulfonamide
CID 25015867
N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-4-methylbenzenesulfonamide
CID 110125809
N-[(1S,2S)-2-[ethyl(phenyl)phosphoryl]oxycyclohexyl]-4-methylbenzenesulfonamide
CID 134848300

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1R,2R)-2-prop-2-enoxycyclohexyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(1R,2R)-2-prop-2-enoxycyclohexyl]benzenesulfonamide (CID 12032379) is 4-methyl-N-[(1R,2R)-2-prop-2-enoxycyclohexyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(1R,2R)-2-prop-2-enoxycyclohexyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(1R,2R)-2-prop-2-enoxycyclohexyl]benzenesulfonamide is C=CCO[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-[(1R,2R)-2-prop-2-enoxycyclohexyl]benzenesulfonamide?
The InChIKey is XNBKQPAPBOTXOL-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-3-12-20-16-7-5-4-6-15(16)17-21(18,19)14-10-8-13(2)9-11-14/h3,8-11,15-17H,1,4-7,12H2,2H3/t15-,16-/m1/s1.
What are the key properties of 4-methyl-N-[(1R,2R)-2-prop-2-enoxycyclohexyl]benzenesulfonamide?
4-methyl-N-[(1R,2R)-2-prop-2-enoxycyclohexyl]benzenesulfonamide has a molecular weight of 309.43 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1R,2R)-2-prop-2-enoxycyclohexyl]benzenesulfonamide is sourced from PubChem (CID 12032379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).