3,4-dichloro-N-(furan-2-ylmethyl)benzenesulfonamide

C11H9Cl2NO3S — CID 738690

IUPAC3,4-dichloro-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccco1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H9Cl2NO3S/c12-10-4-3-9(6-11(10)13)18(15,16)14-7-8-2-1-5-17-8/h1-6,14H,7H2
InChIKeyIYOHWNPUYJWIKI-UHFFFAOYSA-N
MW306.17 g/mol
LogP3.06
Rot. Bonds4

About 3,4-dichloro-N-(furan-2-ylmethyl)benzenesulfonamide

3,4-dichloro-N-(furan-2-ylmethyl)benzenesulfonamide (PubChem CID 738690) has the molecular formula C11H9Cl2NO3S and a molecular weight of 306.17 g/mol. Its IUPAC name is 3,4-dichloro-N-(furan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-(furan-2-ylmethyl)benzenesulfonamide
PubChem CID738690
Molecular FormulaC11H9Cl2NO3S
Molecular Weight306.17 g/mol
Exact Mass304.97
IUPAC Name3,4-dichloro-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccco1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H9Cl2NO3S/c12-10-4-3-9(6-11(10)13)18(15,16)14-7-8-2-1-5-17-8/h1-6,14H,7H2
InChIKeyIYOHWNPUYJWIKI-UHFFFAOYSA-N
XLogP3.06
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.17
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,4-dichloro-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

Related Compounds

3-chloro-N-(furan-2-ylmethyl)-4-(methylaminomethyl)benzenesulfonamide
CID 107091317
5-bromo-6-chloro-N-(furan-2-ylmethyl)pyridine-3-sulfonamide
CID 1034230
2-chloro-N-(4-chlorophenyl)-5-(furan-2-ylmethylsulfamoyl)benzamide
CID 25036124
3-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylbenzenesulfonamide
CID 55880160
2-(3,4-dichlorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 34858380
4-bromo-2,6-dichloro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 26944366
2-N,7-N-bis(furan-2-ylmethyl)-9-hydroxy-9H-fluorene-2,7-disulfonamide
CID 4067948
2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)acetamide
CID 38254473
3,4-dichloro-N-[[3-(chloromethyl)phenyl]methyl]benzenesulfonamide
CID 65032700
2-chloro-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
CID 32672518
3-(furan-2-ylmethylsulfamoyl)benzoic acid
CID 972732
5-[[(3,4-dichlorophenyl)sulfonylamino]methyl]furan-2-carboxylic acid
CID 79993357

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(furan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-(furan-2-ylmethyl)benzenesulfonamide (CID 738690) is 3,4-dichloro-N-(furan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-(furan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-(furan-2-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1ccco1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(furan-2-ylmethyl)benzenesulfonamide?
The InChIKey is IYOHWNPUYJWIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NO3S/c12-10-4-3-9(6-11(10)13)18(15,16)14-7-8-2-1-5-17-8/h1-6,14H,7H2.
What are the key properties of 3,4-dichloro-N-(furan-2-ylmethyl)benzenesulfonamide?
3,4-dichloro-N-(furan-2-ylmethyl)benzenesulfonamide has a molecular weight of 306.17 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(furan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 738690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).