3-chloro-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-4-fluorobenzenesulfonamide

C15H15ClFNO3S2 — CID 71781754

IUPAC3-chloro-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NCC(O)(c1cccs1)C1CC1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H15ClFNO3S2/c16-12-8-11(5-6-13(12)17)23(20,21)18-9-15(19,10-3-4-10)14-2-1-7-22-14/h1-2,5-8,10,18-19H,3-4,9H2
InChIKeyGZCUEAIRCXFHLH-UHFFFAOYSA-N
MW375.87 g/mol
LogP3.12
Rot. Bonds6

About 3-chloro-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-4-fluorobenzenesulfonamide

3-chloro-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-4-fluorobenzenesulfonamide (PubChem CID 71781754) has the molecular formula C15H15ClFNO3S2 and a molecular weight of 375.87 g/mol. Its IUPAC name is 3-chloro-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-4-fluorobenzenesulfonamide
PubChem CID71781754
Molecular FormulaC15H15ClFNO3S2
Molecular Weight375.87 g/mol
Exact Mass375.02
IUPAC Name3-chloro-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NCC(O)(c1cccs1)C1CC1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H15ClFNO3S2/c16-12-8-11(5-6-13(12)17)23(20,21)18-9-15(19,10-3-4-10)14-2-1-7-22-14/h1-2,5-8,10,18-19H,3-4,9H2
InChIKeyGZCUEAIRCXFHLH-UHFFFAOYSA-N
XLogP3.12
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.87
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-4-fluorobenzenesulfonamide 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 3-chloro-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-4-fluorobenzenesulfonamide?
The IUPAC name of 3-chloro-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-4-fluorobenzenesulfonamide (CID 71781754) is 3-chloro-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-4-fluorobenzenesulfonamide is O=S(=O)(NCC(O)(c1cccs1)C1CC1)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-4-fluorobenzenesulfonamide?
The InChIKey is GZCUEAIRCXFHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO3S2/c16-12-8-11(5-6-13(12)17)23(20,21)18-9-15(19,10-3-4-10)14-2-1-7-22-14/h1-2,5-8,10,18-19H,3-4,9H2.
What are the key properties of 3-chloro-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-4-fluorobenzenesulfonamide?
3-chloro-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-4-fluorobenzenesulfonamide has a molecular weight of 375.87 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 71781754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).