2-chloro-N-(furan-2-ylmethyl)-5-[(4-methylsulfonylphenyl)sulfamoyl]benzamide

C19H17ClN2O6S2 — CID 2471024

IUPAC2-chloro-N-(furan-2-ylmethyl)-5-[(4-methylsulfonylphenyl)sulfamoyl]benzamide
SMILESCS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)NCc3ccco3)c2)cc1
InChIInChI=1S/C19H17ClN2O6S2/c1-29(24,25)15-6-4-13(5-7-15)22-30(26,27)16-8-9-18(20)17(11-16)19(23)21-12-14-3-2-10-28-14/h2-11,22H,12H2,1H3,(H,21,23)
InChIKeyKCKMFAXGEMOLFU-UHFFFAOYSA-N
MW468.94 g/mol
LogP3.07
Rot. Bonds7

About 2-chloro-N-(furan-2-ylmethyl)-5-[(4-methylsulfonylphenyl)sulfamoyl]benzamide

2-chloro-N-(furan-2-ylmethyl)-5-[(4-methylsulfonylphenyl)sulfamoyl]benzamide (PubChem CID 2471024) has the molecular formula C19H17ClN2O6S2 and a molecular weight of 468.94 g/mol. Its IUPAC name is 2-chloro-N-(furan-2-ylmethyl)-5-[(4-methylsulfonylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-(furan-2-ylmethyl)-5-[(4-methylsulfonylphenyl)sulfamoyl]benzamide
PubChem CID2471024
Molecular FormulaC19H17ClN2O6S2
Molecular Weight468.94 g/mol
Exact Mass468.02
IUPAC Name2-chloro-N-(furan-2-ylmethyl)-5-[(4-methylsulfonylphenyl)sulfamoyl]benzamide
SMILESCS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)NCc3ccco3)c2)cc1
InChIInChI=1S/C19H17ClN2O6S2/c1-29(24,25)15-6-4-13(5-7-15)22-30(26,27)16-8-9-18(20)17(11-16)19(23)21-12-14-3-2-10-28-14/h2-11,22H,12H2,1H3,(H,21,23)
InChIKeyKCKMFAXGEMOLFU-UHFFFAOYSA-N
XLogP3.07
TPSA122.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.94
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(furan-2-ylmethyl)-5-[(4-methylsulfonylphenyl)sulfamoyl]benzamide?
The IUPAC name of 2-chloro-N-(furan-2-ylmethyl)-5-[(4-methylsulfonylphenyl)sulfamoyl]benzamide (CID 2471024) is 2-chloro-N-(furan-2-ylmethyl)-5-[(4-methylsulfonylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-(furan-2-ylmethyl)-5-[(4-methylsulfonylphenyl)sulfamoyl]benzamide?
The canonical SMILES for 2-chloro-N-(furan-2-ylmethyl)-5-[(4-methylsulfonylphenyl)sulfamoyl]benzamide is CS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)NCc3ccco3)c2)cc1.
What is the InChIKey of 2-chloro-N-(furan-2-ylmethyl)-5-[(4-methylsulfonylphenyl)sulfamoyl]benzamide?
The InChIKey is KCKMFAXGEMOLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O6S2/c1-29(24,25)15-6-4-13(5-7-15)22-30(26,27)16-8-9-18(20)17(11-16)19(23)21-12-14-3-2-10-28-14/h2-11,22H,12H2,1H3,(H,21,23).
What are the key properties of 2-chloro-N-(furan-2-ylmethyl)-5-[(4-methylsulfonylphenyl)sulfamoyl]benzamide?
2-chloro-N-(furan-2-ylmethyl)-5-[(4-methylsulfonylphenyl)sulfamoyl]benzamide has a molecular weight of 468.94 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(furan-2-ylmethyl)-5-[(4-methylsulfonylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 2471024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).