N-(2-hydroxy-2-phenylethyl)-4-methylbenzenesulfonamide

C15H17NO3S — CID 2812775

IUPACN-(2-hydroxy-2-phenylethyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(O)c2ccccc2)cc1
InChIInChI=1S/C15H17NO3S/c1-12-7-9-14(10-8-12)20(18,19)16-11-15(17)13-5-3-2-4-6-13/h2-10,15-17H,11H2,1H3
InChIKeyOUILWGCQLMHRJA-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.01
Rot. Bonds5

About N-(2-hydroxy-2-phenylethyl)-4-methylbenzenesulfonamide

N-(2-hydroxy-2-phenylethyl)-4-methylbenzenesulfonamide (PubChem CID 2812775) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylethyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylethyl)-4-methylbenzenesulfonamide
PubChem CID2812775
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC NameN-(2-hydroxy-2-phenylethyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(O)c2ccccc2)cc1
InChIInChI=1S/C15H17NO3S/c1-12-7-9-14(10-8-12)20(18,19)16-11-15(17)13-5-3-2-4-6-13/h2-10,15-17H,11H2,1H3
InChIKeyOUILWGCQLMHRJA-UHFFFAOYSA-N
XLogP2.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylethyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(2-hydroxy-2-phenylethyl)-4-methylbenzenesulfonamide (CID 2812775) is N-(2-hydroxy-2-phenylethyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylethyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2-hydroxy-2-phenylethyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCC(O)c2ccccc2)cc1.
What is the InChIKey of N-(2-hydroxy-2-phenylethyl)-4-methylbenzenesulfonamide?
The InChIKey is OUILWGCQLMHRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-12-7-9-14(10-8-12)20(18,19)16-11-15(17)13-5-3-2-4-6-13/h2-10,15-17H,11H2,1H3.
What are the key properties of N-(2-hydroxy-2-phenylethyl)-4-methylbenzenesulfonamide?
N-(2-hydroxy-2-phenylethyl)-4-methylbenzenesulfonamide has a molecular weight of 291.37 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylethyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 2812775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).