N-benzyl-N-(2-hydroxyphenyl)-4-methylbenzenesulfonamide

C20H19NO3S — CID 22345953

IUPACN-benzyl-N-(2-hydroxyphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2O)cc1
InChIInChI=1S/C20H19NO3S/c1-16-11-13-18(14-12-16)25(23,24)21(15-17-7-3-2-4-8-17)19-9-5-6-10-20(19)22/h2-14,22H,15H2,1H3
InChIKeyWSEQQDCESSRXMR-UHFFFAOYSA-N
MW353.44 g/mol
LogP4.10
Rot. Bonds5

About N-benzyl-N-(2-hydroxyphenyl)-4-methylbenzenesulfonamide

N-benzyl-N-(2-hydroxyphenyl)-4-methylbenzenesulfonamide (PubChem CID 22345953) has the molecular formula C20H19NO3S and a molecular weight of 353.44 g/mol. Its IUPAC name is N-benzyl-N-(2-hydroxyphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-(2-hydroxyphenyl)-4-methylbenzenesulfonamide
PubChem CID22345953
Molecular FormulaC20H19NO3S
Molecular Weight353.44 g/mol
Exact Mass353.11
IUPAC NameN-benzyl-N-(2-hydroxyphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2O)cc1
InChIInChI=1S/C20H19NO3S/c1-16-11-13-18(14-12-16)25(23,24)21(15-17-7-3-2-4-8-17)19-9-5-6-10-20(19)22/h2-14,22H,15H2,1H3
InChIKeyWSEQQDCESSRXMR-UHFFFAOYSA-N
XLogP4.10
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-hydroxyphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-benzyl-N-(2-hydroxyphenyl)-4-methylbenzenesulfonamide (CID 22345953) is N-benzyl-N-(2-hydroxyphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-N-(2-hydroxyphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-benzyl-N-(2-hydroxyphenyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2O)cc1.
What is the InChIKey of N-benzyl-N-(2-hydroxyphenyl)-4-methylbenzenesulfonamide?
The InChIKey is WSEQQDCESSRXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3S/c1-16-11-13-18(14-12-16)25(23,24)21(15-17-7-3-2-4-8-17)19-9-5-6-10-20(19)22/h2-14,22H,15H2,1H3.
What are the key properties of N-benzyl-N-(2-hydroxyphenyl)-4-methylbenzenesulfonamide?
N-benzyl-N-(2-hydroxyphenyl)-4-methylbenzenesulfonamide has a molecular weight of 353.44 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-hydroxyphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 22345953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).