N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,4,5-trimethylbenzenesulfonamide

C16H21NO3S2 — CID 71782473

IUPACN-(2-hydroxy-2-thiophen-2-ylpropyl)-2,4,5-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCC(C)(O)c2cccs2)cc1C
InChIInChI=1S/C16H21NO3S2/c1-11-8-13(3)14(9-12(11)2)22(19,20)17-10-16(4,18)15-6-5-7-21-15/h5-9,17-18H,10H2,1-4H3
InChIKeySVDWKYOISFRZTN-UHFFFAOYSA-N
MW339.48 g/mol
LogP2.86
Rot. Bonds5

About N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,4,5-trimethylbenzenesulfonamide

N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,4,5-trimethylbenzenesulfonamide (PubChem CID 71782473) has the molecular formula C16H21NO3S2 and a molecular weight of 339.48 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,4,5-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-2-ylpropyl)-2,4,5-trimethylbenzenesulfonamide
PubChem CID71782473
Molecular FormulaC16H21NO3S2
Molecular Weight339.48 g/mol
Exact Mass339.10
IUPAC NameN-(2-hydroxy-2-thiophen-2-ylpropyl)-2,4,5-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCC(C)(O)c2cccs2)cc1C
InChIInChI=1S/C16H21NO3S2/c1-11-8-13(3)14(9-12(11)2)22(19,20)17-10-16(4,18)15-6-5-7-21-15/h5-9,17-18H,10H2,1-4H3
InChIKeySVDWKYOISFRZTN-UHFFFAOYSA-N
XLogP2.86
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,4,5-trimethylbenzenesulfonamide 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-(2-hydroxy-2-thiophen-2-ylpropyl)-2,4,5-trimethylbenzenesulfonamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,4,5-trimethylbenzenesulfonamide (CID 71782473) is N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,4,5-trimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,4,5-trimethylbenzenesulfonamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,4,5-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NCC(C)(O)c2cccs2)cc1C.
What is the InChIKey of N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,4,5-trimethylbenzenesulfonamide?
The InChIKey is SVDWKYOISFRZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3S2/c1-11-8-13(3)14(9-12(11)2)22(19,20)17-10-16(4,18)15-6-5-7-21-15/h5-9,17-18H,10H2,1-4H3.
What are the key properties of N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,4,5-trimethylbenzenesulfonamide?
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,4,5-trimethylbenzenesulfonamide has a molecular weight of 339.48 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,4,5-trimethylbenzenesulfonamide is sourced from PubChem (CID 71782473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).