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

C16H19NO3S — CID 792037

IUPACN-benzyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CCO)Cc2ccccc2)cc1
InChIInChI=1S/C16H19NO3S/c1-14-7-9-16(10-8-14)21(19,20)17(11-12-18)13-15-5-3-2-4-6-15/h2-10,18H,11-13H2,1H3
InChIKeyQTZMVOQSYGIBAX-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.18
Rot. Bonds6

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

N-benzyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide (PubChem CID 792037) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-benzyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
PubChem CID792037
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-benzyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CCO)Cc2ccccc2)cc1
InChIInChI=1S/C16H19NO3S/c1-14-7-9-16(10-8-14)21(19,20)17(11-12-18)13-15-5-3-2-4-6-15/h2-10,18H,11-13H2,1H3
InChIKeyQTZMVOQSYGIBAX-UHFFFAOYSA-N
XLogP2.18
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-benzyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide (CID 792037) is N-benzyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-benzyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(CCO)Cc2ccccc2)cc1.
What is the InChIKey of N-benzyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide?
The InChIKey is QTZMVOQSYGIBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-14-7-9-16(10-8-14)21(19,20)17(11-12-18)13-15-5-3-2-4-6-15/h2-10,18H,11-13H2,1H3.
What are the key properties of N-benzyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide?
N-benzyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 792037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).