N,N-diethyl-2-(2-hydroxyphenyl)-4-methylbenzenesulfonamide

C17H21NO3S — CID 10495884

IUPACN,N-diethyl-2-(2-hydroxyphenyl)-4-methylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)cc1-c1ccccc1O
InChIInChI=1S/C17H21NO3S/c1-4-18(5-2)22(20,21)17-11-10-13(3)12-15(17)14-8-6-7-9-16(14)19/h6-12,19H,4-5H2,1-3H3
InChIKeyKLRXFBGMMBJJEO-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.40
Rot. Bonds5

About N,N-diethyl-2-(2-hydroxyphenyl)-4-methylbenzenesulfonamide

N,N-diethyl-2-(2-hydroxyphenyl)-4-methylbenzenesulfonamide (PubChem CID 10495884) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N,N-diethyl-2-(2-hydroxyphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-2-(2-hydroxyphenyl)-4-methylbenzenesulfonamide
PubChem CID10495884
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC NameN,N-diethyl-2-(2-hydroxyphenyl)-4-methylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)cc1-c1ccccc1O
InChIInChI=1S/C17H21NO3S/c1-4-18(5-2)22(20,21)17-11-10-13(3)12-15(17)14-8-6-7-9-16(14)19/h6-12,19H,4-5H2,1-3H3
InChIKeyKLRXFBGMMBJJEO-UHFFFAOYSA-N
XLogP3.40
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(2-hydroxyphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N,N-diethyl-2-(2-hydroxyphenyl)-4-methylbenzenesulfonamide (CID 10495884) is N,N-diethyl-2-(2-hydroxyphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N,N-diethyl-2-(2-hydroxyphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N,N-diethyl-2-(2-hydroxyphenyl)-4-methylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(C)cc1-c1ccccc1O.
What is the InChIKey of N,N-diethyl-2-(2-hydroxyphenyl)-4-methylbenzenesulfonamide?
The InChIKey is KLRXFBGMMBJJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-4-18(5-2)22(20,21)17-11-10-13(3)12-15(17)14-8-6-7-9-16(14)19/h6-12,19H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-2-(2-hydroxyphenyl)-4-methylbenzenesulfonamide?
N,N-diethyl-2-(2-hydroxyphenyl)-4-methylbenzenesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(2-hydroxyphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 10495884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).