4-methyl-N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]benzenesulfonamide

C17H27NO2S — CID 164677819

IUPAC4-methyl-N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H]2C[C@H](C)CC[C@H]2C(C)C)cc1
InChIInChI=1S/C17H27NO2S/c1-12(2)16-10-7-14(4)11-17(16)18-21(19,20)15-8-5-13(3)6-9-15/h5-6,8-9,12,14,16-18H,7,10-11H2,1-4H3/t14-,16+,17+/m1/s1
InChIKeyNEWFTODLIRRGQF-PVAVHDDUSA-N
MW309.48 g/mol
LogP3.73
Rot. Bonds4

About 4-methyl-N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]benzenesulfonamide

4-methyl-N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]benzenesulfonamide (PubChem CID 164677819) has the molecular formula C17H27NO2S and a molecular weight of 309.48 g/mol. Its IUPAC name is 4-methyl-N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]benzenesulfonamide
PubChem CID164677819
Molecular FormulaC17H27NO2S
Molecular Weight309.48 g/mol
Exact Mass309.18
IUPAC Name4-methyl-N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H]2C[C@H](C)CC[C@H]2C(C)C)cc1
InChIInChI=1S/C17H27NO2S/c1-12(2)16-10-7-14(4)11-17(16)18-21(19,20)15-8-5-13(3)6-9-15/h5-6,8-9,12,14,16-18H,7,10-11H2,1-4H3/t14-,16+,17+/m1/s1
InChIKeyNEWFTODLIRRGQF-PVAVHDDUSA-N
XLogP3.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methyl-N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]benzenesulfonamide with MolForge

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Related Compounds

N-(5-methyl-2-propan-2-ylcyclohexyl)benzenesulfonamide
CID 42960041
3,4-dimethoxy-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]benzenesulfonamide
CID 51672911
3,4-dimethoxy-N-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]benzenesulfonamide
CID 51672912
4-(cyclopropylsulfamoyl)-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide
CID 55662861
(5-methyl-2-propan-2-ylcyclohexyl) 4-methylbenzenesulfonate
CID 586629
N-[(1S,2S)-2-fluorocyclopropyl]-4-methylbenzenesulfonamide
CID 7154370
4-methyl-N-[methyl-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-oxo-λ6-sulfanylidene]benzenesulfonamide
CID 11728401
N-(5-methyl-2-propan-2-ylcyclohexyl)propane-1-sulfonamide
CID 61383803
4-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 11097522
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-methylbenzenesulfonamide
CID 7728447
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methylbenzenesulfonamide
CID 11878164
(5-methyl-2-propan-2-ylcyclohexyl) 2-[(4-methylphenyl)sulfonylamino]benzoate
CID 3572871

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]benzenesulfonamide (CID 164677819) is 4-methyl-N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@H]2C[C@H](C)CC[C@H]2C(C)C)cc1.
What is the InChIKey of 4-methyl-N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]benzenesulfonamide?
The InChIKey is NEWFTODLIRRGQF-PVAVHDDUSA-N. The full InChI is InChI=1S/C17H27NO2S/c1-12(2)16-10-7-14(4)11-17(16)18-21(19,20)15-8-5-13(3)6-9-15/h5-6,8-9,12,14,16-18H,7,10-11H2,1-4H3/t14-,16+,17+/m1/s1.
What are the key properties of 4-methyl-N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]benzenesulfonamide?
4-methyl-N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]benzenesulfonamide has a molecular weight of 309.48 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]benzenesulfonamide is sourced from PubChem (CID 164677819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).