3-chloro-N-(furan-2-ylmethyl)benzenesulfonamide

C11H10ClNO3S — CID 890631

IUPAC3-chloro-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccco1)c1cccc(Cl)c1
InChIInChI=1S/C11H10ClNO3S/c12-9-3-1-5-11(7-9)17(14,15)13-8-10-4-2-6-16-10/h1-7,13H,8H2
InChIKeyRMZZMEXHVVSDFR-UHFFFAOYSA-N
MW271.73 g/mol
LogP2.41
Rot. Bonds4

About 3-chloro-N-(furan-2-ylmethyl)benzenesulfonamide

3-chloro-N-(furan-2-ylmethyl)benzenesulfonamide (PubChem CID 890631) has the molecular formula C11H10ClNO3S and a molecular weight of 271.73 g/mol. Its IUPAC name is 3-chloro-N-(furan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(furan-2-ylmethyl)benzenesulfonamide
PubChem CID890631
Molecular FormulaC11H10ClNO3S
Molecular Weight271.73 g/mol
Exact Mass271.01
IUPAC Name3-chloro-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccco1)c1cccc(Cl)c1
InChIInChI=1S/C11H10ClNO3S/c12-9-3-1-5-11(7-9)17(14,15)13-8-10-4-2-6-16-10/h1-7,13H,8H2
InChIKeyRMZZMEXHVVSDFR-UHFFFAOYSA-N
XLogP2.41
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.73
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-chloro-N-(furan-2-ylmethyl)benzenesulfonamide 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-(furan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-(furan-2-ylmethyl)benzenesulfonamide (CID 890631) is 3-chloro-N-(furan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(furan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-(furan-2-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1ccco1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(furan-2-ylmethyl)benzenesulfonamide?
The InChIKey is RMZZMEXHVVSDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO3S/c12-9-3-1-5-11(7-9)17(14,15)13-8-10-4-2-6-16-10/h1-7,13H,8H2.
What are the key properties of 3-chloro-N-(furan-2-ylmethyl)benzenesulfonamide?
3-chloro-N-(furan-2-ylmethyl)benzenesulfonamide has a molecular weight of 271.73 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(furan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 890631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).