3-[(3-chlorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)-4-methylbenzamide

C19H17ClN2O4S — CID 2396097

IUPAC3-[(3-chlorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2ccco2)cc1S(=O)(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C19H17ClN2O4S/c1-13-7-8-14(19(23)21-12-17-6-3-9-26-17)10-18(13)27(24,25)22-16-5-2-4-15(20)11-16/h2-11,22H,12H2,1H3,(H,21,23)
InChIKeyNXHAKJCIFMREIJ-UHFFFAOYSA-N
MW404.88 g/mol
LogP3.97
Rot. Bonds6

About 3-[(3-chlorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)-4-methylbenzamide

3-[(3-chlorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)-4-methylbenzamide (PubChem CID 2396097) has the molecular formula C19H17ClN2O4S and a molecular weight of 404.88 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)-4-methylbenzamide
PubChem CID2396097
Molecular FormulaC19H17ClN2O4S
Molecular Weight404.88 g/mol
Exact Mass404.06
IUPAC Name3-[(3-chlorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2ccco2)cc1S(=O)(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C19H17ClN2O4S/c1-13-7-8-14(19(23)21-12-17-6-3-9-26-17)10-18(13)27(24,25)22-16-5-2-4-15(20)11-16/h2-11,22H,12H2,1H3,(H,21,23)
InChIKeyNXHAKJCIFMREIJ-UHFFFAOYSA-N
XLogP3.97
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.88
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)-4-methylbenzamide?
The IUPAC name of 3-[(3-chlorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)-4-methylbenzamide (CID 2396097) is 3-[(3-chlorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)-4-methylbenzamide.
What is the SMILES notation for 3-[(3-chlorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)-4-methylbenzamide?
The canonical SMILES for 3-[(3-chlorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)-4-methylbenzamide is Cc1ccc(C(=O)NCc2ccco2)cc1S(=O)(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 3-[(3-chlorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)-4-methylbenzamide?
The InChIKey is NXHAKJCIFMREIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O4S/c1-13-7-8-14(19(23)21-12-17-6-3-9-26-17)10-18(13)27(24,25)22-16-5-2-4-15(20)11-16/h2-11,22H,12H2,1H3,(H,21,23).
What are the key properties of 3-[(3-chlorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)-4-methylbenzamide?
3-[(3-chlorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)-4-methylbenzamide has a molecular weight of 404.88 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)-4-methylbenzamide is sourced from PubChem (CID 2396097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).