4-chloro-N-(furan-2-ylmethyl)-3-(methylsulfamoyl)benzamide

C13H13ClN2O4S — CID 4882410

IUPAC4-chloro-N-(furan-2-ylmethyl)-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)NCc2ccco2)ccc1Cl
InChIInChI=1S/C13H13ClN2O4S/c1-15-21(18,19)12-7-9(4-5-11(12)14)13(17)16-8-10-3-2-6-20-10/h2-7,15H,8H2,1H3,(H,16,17)
InChIKeyUHCITPQQODXUPE-UHFFFAOYSA-N
MW328.78 g/mol
LogP1.77
Rot. Bonds5

About 4-chloro-N-(furan-2-ylmethyl)-3-(methylsulfamoyl)benzamide

4-chloro-N-(furan-2-ylmethyl)-3-(methylsulfamoyl)benzamide (PubChem CID 4882410) has the molecular formula C13H13ClN2O4S and a molecular weight of 328.78 g/mol. Its IUPAC name is 4-chloro-N-(furan-2-ylmethyl)-3-(methylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(furan-2-ylmethyl)-3-(methylsulfamoyl)benzamide
PubChem CID4882410
Molecular FormulaC13H13ClN2O4S
Molecular Weight328.78 g/mol
Exact Mass328.03
IUPAC Name4-chloro-N-(furan-2-ylmethyl)-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)NCc2ccco2)ccc1Cl
InChIInChI=1S/C13H13ClN2O4S/c1-15-21(18,19)12-7-9(4-5-11(12)14)13(17)16-8-10-3-2-6-20-10/h2-7,15H,8H2,1H3,(H,16,17)
InChIKeyUHCITPQQODXUPE-UHFFFAOYSA-N
XLogP1.77
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.78
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(furan-2-ylmethyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 46422535
4-chloro-N-[(4-chlorophenyl)methyl]-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 36866343
4-chloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 4234401
4-chloro-N-methyl-3-(methylsulfamoyl)benzamide
CID 19394
4-chloro-N-(4-ethylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 36705186
2-chloro-N-(furan-2-ylmethyl)-5-[(2,3,4,5,6-pentafluoroanilino)carbamoyl]benzenesulfonamide
CID 55350553
4-chloro-N-(2,5-dimethylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 36865653
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
N-(furan-2-ylmethyl)-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 1251601
2,5-dichloro-N-(furan-2-ylmethyl)benzamide
CID 690467
N-(furan-2-ylmethyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 2335111
2-chloro-N-(furan-2-ylmethyl)-5-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide
CID 36866380

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(furan-2-ylmethyl)-3-(methylsulfamoyl)benzamide?
The IUPAC name of 4-chloro-N-(furan-2-ylmethyl)-3-(methylsulfamoyl)benzamide (CID 4882410) is 4-chloro-N-(furan-2-ylmethyl)-3-(methylsulfamoyl)benzamide.
What is the SMILES notation for 4-chloro-N-(furan-2-ylmethyl)-3-(methylsulfamoyl)benzamide?
The canonical SMILES for 4-chloro-N-(furan-2-ylmethyl)-3-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1cc(C(=O)NCc2ccco2)ccc1Cl.
What is the InChIKey of 4-chloro-N-(furan-2-ylmethyl)-3-(methylsulfamoyl)benzamide?
The InChIKey is UHCITPQQODXUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O4S/c1-15-21(18,19)12-7-9(4-5-11(12)14)13(17)16-8-10-3-2-6-20-10/h2-7,15H,8H2,1H3,(H,16,17).
What are the key properties of 4-chloro-N-(furan-2-ylmethyl)-3-(methylsulfamoyl)benzamide?
4-chloro-N-(furan-2-ylmethyl)-3-(methylsulfamoyl)benzamide has a molecular weight of 328.78 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(furan-2-ylmethyl)-3-(methylsulfamoyl)benzamide is sourced from PubChem (CID 4882410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).