N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-methylbenzenesulfonamide

C15H23NO2S — CID 7728447

IUPACN-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H]2CCC[C@H](C)[C@H]2C)cc1
InChIInChI=1S/C15H23NO2S/c1-11-7-9-14(10-8-11)19(17,18)16-15-6-4-5-12(2)13(15)3/h7-10,12-13,15-16H,4-6H2,1-3H3/t12-,13+,15-/m0/s1
InChIKeyGVYIJKMMUSAMBA-GUTXKFCHSA-N
MW281.42 g/mol
LogP3.10
Rot. Bonds3

About N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-methylbenzenesulfonamide

N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-methylbenzenesulfonamide (PubChem CID 7728447) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-methylbenzenesulfonamide
PubChem CID7728447
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC NameN-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H]2CCC[C@H](C)[C@H]2C)cc1
InChIInChI=1S/C15H23NO2S/c1-11-7-9-14(10-8-11)19(17,18)16-15-6-4-5-12(2)13(15)3/h7-10,12-13,15-16H,4-6H2,1-3H3/t12-,13+,15-/m0/s1
InChIKeyGVYIJKMMUSAMBA-GUTXKFCHSA-N
XLogP3.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzenesulfonamide
CID 11895768
4-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 11097522
4-(difluoromethylsulfonyl)-N-(2,3-dimethylcyclohexyl)benzenesulfonamide
CID 42958006
4-(difluoromethylsulfonyl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]benzenesulfonamide
CID 98672836
4-cyano-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]benzenesulfonamide
CID 11928439
N-[(1R,2R)-2-hydroxycyclopentyl]-4-methylbenzenesulfonamide
CID 11230584
4-[(2,3-dimethylcyclohexyl)sulfamoyl]benzenecarbothioamide
CID 43102649
3-amino-N-(2,3-dimethylcyclohexyl)-5-methylbenzenesulfonamide
CID 43256183
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-4-methylbenzenesulfonamide
CID 5247563
N-[(1S,2R)-2-bromocyclohexyl]-4-methylbenzenesulfonamide
CID 134933905
6-chloro-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]pyridine-3-sulfonamide
CID 124835688
N-[2-(bromomethyl)cyclopentyl]-4-methylbenzenesulfonamide
CID 106367542

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-methylbenzenesulfonamide (CID 7728447) is N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@H]2CCC[C@H](C)[C@H]2C)cc1.
What is the InChIKey of N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-methylbenzenesulfonamide?
The InChIKey is GVYIJKMMUSAMBA-GUTXKFCHSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-11-7-9-14(10-8-11)19(17,18)16-15-6-4-5-12(2)13(15)3/h7-10,12-13,15-16H,4-6H2,1-3H3/t12-,13+,15-/m0/s1.
What are the key properties of N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-methylbenzenesulfonamide?
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-methylbenzenesulfonamide has a molecular weight of 281.42 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 7728447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).