N-[(3-hydroxycyclohexyl)methyl]-3,5-dimethylbenzenesulfonamide

C15H23NO3S — CID 106126424

IUPACN-[(3-hydroxycyclohexyl)methyl]-3,5-dimethylbenzenesulfonamide
SMILESCc1cc(C)cc(S(=O)(=O)NCC2CCCC(O)C2)c1
InChIInChI=1S/C15H23NO3S/c1-11-6-12(2)8-15(7-11)20(18,19)16-10-13-4-3-5-14(17)9-13/h6-8,13-14,16-17H,3-5,9-10H2,1-2H3
InChIKeyQGDIKUZUEULRAP-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.13
Rot. Bonds4

About N-[(3-hydroxycyclohexyl)methyl]-3,5-dimethylbenzenesulfonamide

N-[(3-hydroxycyclohexyl)methyl]-3,5-dimethylbenzenesulfonamide (PubChem CID 106126424) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-[(3-hydroxycyclohexyl)methyl]-3,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclohexyl)methyl]-3,5-dimethylbenzenesulfonamide
PubChem CID106126424
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC NameN-[(3-hydroxycyclohexyl)methyl]-3,5-dimethylbenzenesulfonamide
SMILESCc1cc(C)cc(S(=O)(=O)NCC2CCCC(O)C2)c1
InChIInChI=1S/C15H23NO3S/c1-11-6-12(2)8-15(7-11)20(18,19)16-10-13-4-3-5-14(17)9-13/h6-8,13-14,16-17H,3-5,9-10H2,1-2H3
InChIKeyQGDIKUZUEULRAP-UHFFFAOYSA-N
XLogP2.13
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 103835805
3-amino-5-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119347
5-fluoro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
CID 103835856
4-[(3-hydroxycyclohexyl)methylsulfamoyl]-1-methylpyrrole-2-carboxamide
CID 103835875
N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
CID 113318540
6-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
CID 103835870
4-cyano-N-[[(1R,3R)-3-hydroxycyclohexyl]methyl]benzenesulfonamide
CID 97239465
5-chloro-N-[(3-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide
CID 103835873
2-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-sulfonamide
CID 114147254
3-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699898
N-[(3-aminocyclohexyl)methyl]-3-methylbenzenesulfonamide
CID 106126034
5-amino-2-chloro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119339

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-3,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-3,5-dimethylbenzenesulfonamide (CID 106126424) is N-[(3-hydroxycyclohexyl)methyl]-3,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(3-hydroxycyclohexyl)methyl]-3,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(3-hydroxycyclohexyl)methyl]-3,5-dimethylbenzenesulfonamide is Cc1cc(C)cc(S(=O)(=O)NCC2CCCC(O)C2)c1.
What is the InChIKey of N-[(3-hydroxycyclohexyl)methyl]-3,5-dimethylbenzenesulfonamide?
The InChIKey is QGDIKUZUEULRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-11-6-12(2)8-15(7-11)20(18,19)16-10-13-4-3-5-14(17)9-13/h6-8,13-14,16-17H,3-5,9-10H2,1-2H3.
What are the key properties of N-[(3-hydroxycyclohexyl)methyl]-3,5-dimethylbenzenesulfonamide?
N-[(3-hydroxycyclohexyl)methyl]-3,5-dimethylbenzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclohexyl)methyl]-3,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 106126424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).