N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide

C13H19NO3S — CID 43389437

IUPACN-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCC(O)CC2)cc1
InChIInChI=1S/C13H19NO3S/c1-10-2-8-13(9-3-10)18(16,17)14-11-4-6-12(15)7-5-11/h2-3,8-9,11-12,14-15H,4-7H2,1H3
InChIKeyXJEBXLTYWWLXGZ-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.58
Rot. Bonds3

About N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide

N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide (PubChem CID 43389437) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide
PubChem CID43389437
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC NameN-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCC(O)CC2)cc1
InChIInChI=1S/C13H19NO3S/c1-10-2-8-13(9-3-10)18(16,17)14-11-4-6-12(15)7-5-11/h2-3,8-9,11-12,14-15H,4-7H2,1H3
InChIKeyXJEBXLTYWWLXGZ-UHFFFAOYSA-N
XLogP1.58
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide (CID 43389437) is N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CCC(O)CC2)cc1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide?
The InChIKey is XJEBXLTYWWLXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-10-2-8-13(9-3-10)18(16,17)14-11-4-6-12(15)7-5-11/h2-3,8-9,11-12,14-15H,4-7H2,1H3.
What are the key properties of N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide?
N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide has a molecular weight of 269.37 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 43389437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).