N-(2-hydroxy-2,2-diphenylethyl)-4-methylbenzenesulfonamide

C21H21NO3S — CID 13459466

IUPACN-(2-hydroxy-2,2-diphenylethyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H21NO3S/c1-17-12-14-20(15-13-17)26(24,25)22-16-21(23,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,22-23H,16H2,1H3
InChIKeyBMWFPSDFWCPSOQ-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.21
Rot. Bonds6

About N-(2-hydroxy-2,2-diphenylethyl)-4-methylbenzenesulfonamide

N-(2-hydroxy-2,2-diphenylethyl)-4-methylbenzenesulfonamide (PubChem CID 13459466) has the molecular formula C21H21NO3S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-(2-hydroxy-2,2-diphenylethyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,2-diphenylethyl)-4-methylbenzenesulfonamide
PubChem CID13459466
Molecular FormulaC21H21NO3S
Molecular Weight367.47 g/mol
Exact Mass367.12
IUPAC NameN-(2-hydroxy-2,2-diphenylethyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H21NO3S/c1-17-12-14-20(15-13-17)26(24,25)22-16-21(23,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,22-23H,16H2,1H3
InChIKeyBMWFPSDFWCPSOQ-UHFFFAOYSA-N
XLogP3.21
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,2-diphenylethyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(2-hydroxy-2,2-diphenylethyl)-4-methylbenzenesulfonamide (CID 13459466) is N-(2-hydroxy-2,2-diphenylethyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-hydroxy-2,2-diphenylethyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2-hydroxy-2,2-diphenylethyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCC(O)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-(2-hydroxy-2,2-diphenylethyl)-4-methylbenzenesulfonamide?
The InChIKey is BMWFPSDFWCPSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3S/c1-17-12-14-20(15-13-17)26(24,25)22-16-21(23,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,22-23H,16H2,1H3.
What are the key properties of N-(2-hydroxy-2,2-diphenylethyl)-4-methylbenzenesulfonamide?
N-(2-hydroxy-2,2-diphenylethyl)-4-methylbenzenesulfonamide has a molecular weight of 367.47 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,2-diphenylethyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 13459466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).