3-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]benzamide

C18H15ClN2O4S — CID 5206502

IUPAC3-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)c1cccc(Cl)c1
InChIInChI=1S/C18H15ClN2O4S/c19-14-5-1-4-13(10-14)18(22)21-15-6-2-8-17(11-15)26(23,24)20-12-16-7-3-9-25-16/h1-11,20H,12H2,(H,21,22)
InChIKeyKMAKSRSCILJKHB-UHFFFAOYSA-N
MW390.85 g/mol
LogP3.66
Rot. Bonds6

About 3-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]benzamide

3-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]benzamide (PubChem CID 5206502) has the molecular formula C18H15ClN2O4S and a molecular weight of 390.85 g/mol. Its IUPAC name is 3-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]benzamide
PubChem CID5206502
Molecular FormulaC18H15ClN2O4S
Molecular Weight390.85 g/mol
Exact Mass390.04
IUPAC Name3-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)c1cccc(Cl)c1
InChIInChI=1S/C18H15ClN2O4S/c19-14-5-1-4-13(10-14)18(22)21-15-6-2-8-17(11-15)26(23,24)20-12-16-7-3-9-25-16/h1-11,20H,12H2,(H,21,22)
InChIKeyKMAKSRSCILJKHB-UHFFFAOYSA-N
XLogP3.66
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.85
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]benzamide?
The IUPAC name of 3-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]benzamide (CID 5206502) is 3-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]benzamide is O=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]benzamide?
The InChIKey is KMAKSRSCILJKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O4S/c19-14-5-1-4-13(10-14)18(22)21-15-6-2-8-17(11-15)26(23,24)20-12-16-7-3-9-25-16/h1-11,20H,12H2,(H,21,22).
What are the key properties of 3-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]benzamide?
3-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]benzamide has a molecular weight of 390.85 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 5206502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).