3-chloro-N-(furan-2-ylmethyl)-4-(methylaminomethyl)benzenesulfonamide

C13H15ClN2O3S — CID 107091317

IUPAC3-chloro-N-(furan-2-ylmethyl)-4-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)NCc2ccco2)cc1Cl
InChIInChI=1S/C13H15ClN2O3S/c1-15-8-10-4-5-12(7-13(10)14)20(17,18)16-9-11-3-2-6-19-11/h2-7,15-16H,8-9H2,1H3
InChIKeyONQOYNJHGUZVGE-UHFFFAOYSA-N
MW314.79 g/mol
LogP2.13
Rot. Bonds6

About 3-chloro-N-(furan-2-ylmethyl)-4-(methylaminomethyl)benzenesulfonamide

3-chloro-N-(furan-2-ylmethyl)-4-(methylaminomethyl)benzenesulfonamide (PubChem CID 107091317) has the molecular formula C13H15ClN2O3S and a molecular weight of 314.79 g/mol. Its IUPAC name is 3-chloro-N-(furan-2-ylmethyl)-4-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(furan-2-ylmethyl)-4-(methylaminomethyl)benzenesulfonamide
PubChem CID107091317
Molecular FormulaC13H15ClN2O3S
Molecular Weight314.79 g/mol
Exact Mass314.05
IUPAC Name3-chloro-N-(furan-2-ylmethyl)-4-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)NCc2ccco2)cc1Cl
InChIInChI=1S/C13H15ClN2O3S/c1-15-8-10-4-5-12(7-13(10)14)20(17,18)16-9-11-3-2-6-19-11/h2-7,15-16H,8-9H2,1H3
InChIKeyONQOYNJHGUZVGE-UHFFFAOYSA-N
XLogP2.13
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.79
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dichloro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 738690
3-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylbenzenesulfonamide
CID 55880160
3-chloro-4-(methylaminomethyl)-N-[(4-methylthiophen-3-yl)methyl]benzenesulfonamide
CID 107091563
3-chloro-4-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 106018256
3-chloro-N-(2-chlorophenyl)-4-(methylaminomethyl)benzenesulfonamide
CID 106061900
3-chloro-4-(methylaminomethyl)benzenesulfonamide
CID 107091359
2-chloro-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
CID 32672518
5-bromo-6-chloro-N-(furan-2-ylmethyl)pyridine-3-sulfonamide
CID 1034230
2-(3,4-dichlorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 34858380
2-chloro-N-(4-chlorophenyl)-5-(furan-2-ylmethylsulfamoyl)benzamide
CID 25036124
4-bromo-2,6-dichloro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 26944366
3-chloro-N-(4-chlorophenyl)-4-(methylaminomethyl)benzenesulfonamide
CID 106060808

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(furan-2-ylmethyl)-4-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-(furan-2-ylmethyl)-4-(methylaminomethyl)benzenesulfonamide (CID 107091317) is 3-chloro-N-(furan-2-ylmethyl)-4-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(furan-2-ylmethyl)-4-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-(furan-2-ylmethyl)-4-(methylaminomethyl)benzenesulfonamide is CNCc1ccc(S(=O)(=O)NCc2ccco2)cc1Cl.
What is the InChIKey of 3-chloro-N-(furan-2-ylmethyl)-4-(methylaminomethyl)benzenesulfonamide?
The InChIKey is ONQOYNJHGUZVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3S/c1-15-8-10-4-5-12(7-13(10)14)20(17,18)16-9-11-3-2-6-19-11/h2-7,15-16H,8-9H2,1H3.
What are the key properties of 3-chloro-N-(furan-2-ylmethyl)-4-(methylaminomethyl)benzenesulfonamide?
3-chloro-N-(furan-2-ylmethyl)-4-(methylaminomethyl)benzenesulfonamide has a molecular weight of 314.79 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(furan-2-ylmethyl)-4-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 107091317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).