2-(4-hydroxy-4-methylcyclohexyl)-4-phenylbenzenesulfonamide

C19H23NO3S — CID 154475814

IUPAC2-(4-hydroxy-4-methylcyclohexyl)-4-phenylbenzenesulfonamide
SMILESCC1(O)CCC(c2cc(-c3ccccc3)ccc2S(N)(=O)=O)CC1
InChIInChI=1S/C19H23NO3S/c1-19(21)11-9-15(10-12-19)17-13-16(14-5-3-2-4-6-14)7-8-18(17)24(20,22)23/h2-8,13,15,21H,9-12H2,1H3,(H2,20,22,23)
InChIKeyXKLZNRZHDQAWPZ-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.41
Rot. Bonds3

About 2-(4-hydroxy-4-methylcyclohexyl)-4-phenylbenzenesulfonamide

2-(4-hydroxy-4-methylcyclohexyl)-4-phenylbenzenesulfonamide (PubChem CID 154475814) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is 2-(4-hydroxy-4-methylcyclohexyl)-4-phenylbenzenesulfonamide.

Molecular Properties

Compound Name2-(4-hydroxy-4-methylcyclohexyl)-4-phenylbenzenesulfonamide
PubChem CID154475814
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name2-(4-hydroxy-4-methylcyclohexyl)-4-phenylbenzenesulfonamide
SMILESCC1(O)CCC(c2cc(-c3ccccc3)ccc2S(N)(=O)=O)CC1
InChIInChI=1S/C19H23NO3S/c1-19(21)11-9-15(10-12-19)17-13-16(14-5-3-2-4-6-14)7-8-18(17)24(20,22)23/h2-8,13,15,21H,9-12H2,1H3,(H2,20,22,23)
InChIKeyXKLZNRZHDQAWPZ-UHFFFAOYSA-N
XLogP3.41
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-4-methylcyclohexyl)-4-phenylbenzenesulfonamide?
The IUPAC name of 2-(4-hydroxy-4-methylcyclohexyl)-4-phenylbenzenesulfonamide (CID 154475814) is 2-(4-hydroxy-4-methylcyclohexyl)-4-phenylbenzenesulfonamide.
What is the SMILES notation for 2-(4-hydroxy-4-methylcyclohexyl)-4-phenylbenzenesulfonamide?
The canonical SMILES for 2-(4-hydroxy-4-methylcyclohexyl)-4-phenylbenzenesulfonamide is CC1(O)CCC(c2cc(-c3ccccc3)ccc2S(N)(=O)=O)CC1.
What is the InChIKey of 2-(4-hydroxy-4-methylcyclohexyl)-4-phenylbenzenesulfonamide?
The InChIKey is XKLZNRZHDQAWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-19(21)11-9-15(10-12-19)17-13-16(14-5-3-2-4-6-14)7-8-18(17)24(20,22)23/h2-8,13,15,21H,9-12H2,1H3,(H2,20,22,23).
What are the key properties of 2-(4-hydroxy-4-methylcyclohexyl)-4-phenylbenzenesulfonamide?
2-(4-hydroxy-4-methylcyclohexyl)-4-phenylbenzenesulfonamide has a molecular weight of 345.46 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-4-methylcyclohexyl)-4-phenylbenzenesulfonamide is sourced from PubChem (CID 154475814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).