4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

C20H20ClN3O6S2 — CID 4845889

IUPAC4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2ccc(Cl)c(S(=O)(=O)NCc3ccco3)c2)cc1
InChIInChI=1S/C20H20ClN3O6S2/c21-18-8-5-15(12-19(18)32(28,29)24-13-16-2-1-11-30-16)20(25)23-10-9-14-3-6-17(7-4-14)31(22,26)27/h1-8,11-12,24H,9-10,13H2,(H,23,25)(H2,22,26,27)
InChIKeyUREMBFRGCOVYRL-UHFFFAOYSA-N
MW497.98 g/mol
LogP2.03
Rot. Bonds9

About 4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide (PubChem CID 4845889) has the molecular formula C20H20ClN3O6S2 and a molecular weight of 497.98 g/mol. Its IUPAC name is 4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
PubChem CID4845889
Molecular FormulaC20H20ClN3O6S2
Molecular Weight497.98 g/mol
Exact Mass497.05
IUPAC Name4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2ccc(Cl)c(S(=O)(=O)NCc3ccco3)c2)cc1
InChIInChI=1S/C20H20ClN3O6S2/c21-18-8-5-15(12-19(18)32(28,29)24-13-16-2-1-11-30-16)20(25)23-10-9-14-3-6-17(7-4-14)31(22,26)27/h1-8,11-12,24H,9-10,13H2,(H,23,25)(H2,22,26,27)
InChIKeyUREMBFRGCOVYRL-UHFFFAOYSA-N
XLogP2.03
TPSA148.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.98
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The IUPAC name of 4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide (CID 4845889) is 4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The canonical SMILES for 4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide is NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(Cl)c(S(=O)(=O)NCc3ccco3)c2)cc1.
What is the InChIKey of 4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The InChIKey is UREMBFRGCOVYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O6S2/c21-18-8-5-15(12-19(18)32(28,29)24-13-16-2-1-11-30-16)20(25)23-10-9-14-3-6-17(7-4-14)31(22,26)27/h1-8,11-12,24H,9-10,13H2,(H,23,25)(H2,22,26,27).
What are the key properties of 4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide has a molecular weight of 497.98 g/mol, XLogP of 2.03, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide is sourced from PubChem (CID 4845889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).