N-[(1S,2S)-2-hydroxycyclohexyl]-N,2,5-trimethylbenzenesulfonamide

C15H23NO3S — CID 95706282

IUPACN-[(1S,2S)-2-hydroxycyclohexyl]-N,2,5-trimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)N(C)[C@H]2CCCC[C@@H]2O)c1
InChIInChI=1S/C15H23NO3S/c1-11-8-9-12(2)15(10-11)20(18,19)16(3)13-6-4-5-7-14(13)17/h8-10,13-14,17H,4-7H2,1-3H3/t13-,14-/m0/s1
InChIKeyYSROCPFUOOVGME-KBPBESRZSA-N
MW297.42 g/mol
LogP2.23
Rot. Bonds3

About N-[(1S,2S)-2-hydroxycyclohexyl]-N,2,5-trimethylbenzenesulfonamide

N-[(1S,2S)-2-hydroxycyclohexyl]-N,2,5-trimethylbenzenesulfonamide (PubChem CID 95706282) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclohexyl]-N,2,5-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclohexyl]-N,2,5-trimethylbenzenesulfonamide
PubChem CID95706282
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC NameN-[(1S,2S)-2-hydroxycyclohexyl]-N,2,5-trimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)N(C)[C@H]2CCCC[C@@H]2O)c1
InChIInChI=1S/C15H23NO3S/c1-11-8-9-12(2)15(10-11)20(18,19)16(3)13-6-4-5-7-14(13)17/h8-10,13-14,17H,4-7H2,1-3H3/t13-,14-/m0/s1
InChIKeyYSROCPFUOOVGME-KBPBESRZSA-N
XLogP2.23
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2R)-2-hydroxycyclohexyl]-N,2,5-trimethylbenzenesulfonamide
CID 100581918
N-[(1R,2S)-2-hydroxycyclohexyl]-N,2,5-trimethylbenzenesulfonamide
CID 95706281
5-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzenesulfonamide
CID 102635699
N-(2-bromocyclohexyl)-N,2,5-trimethylbenzenesulfonamide
CID 102638654
N-(2-aminocyclohexyl)-N,2,5-trimethylbenzenesulfonamide
CID 102639287
2,5-dichloro-N-[(1S,2R)-2-hydroxycyclohexyl]-N-methylbenzenesulfonamide
CID 98557309
N,2,5-trimethyl-N-(4-oxocyclohexyl)benzenesulfonamide
CID 79120226
N,2,5-trimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79116752
N-(2-hydroxycyclohexyl)-2,5-dimethylbenzenesulfonamide
CID 55064031
2,3-dichloro-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide
CID 102635648
N-(2-aminocyclohexyl)-5-fluoro-N,2-dimethylbenzenesulfonamide
CID 102639278
4-bromo-2-fluoro-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide
CID 102635766

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-N,2,5-trimethylbenzenesulfonamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-N,2,5-trimethylbenzenesulfonamide (CID 95706282) is N-[(1S,2S)-2-hydroxycyclohexyl]-N,2,5-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclohexyl]-N,2,5-trimethylbenzenesulfonamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclohexyl]-N,2,5-trimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)N(C)[C@H]2CCCC[C@@H]2O)c1.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclohexyl]-N,2,5-trimethylbenzenesulfonamide?
The InChIKey is YSROCPFUOOVGME-KBPBESRZSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-11-8-9-12(2)15(10-11)20(18,19)16(3)13-6-4-5-7-14(13)17/h8-10,13-14,17H,4-7H2,1-3H3/t13-,14-/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclohexyl]-N,2,5-trimethylbenzenesulfonamide?
N-[(1S,2S)-2-hydroxycyclohexyl]-N,2,5-trimethylbenzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-hydroxycyclohexyl]-N,2,5-trimethylbenzenesulfonamide is sourced from PubChem (CID 95706282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).