4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-(2-methoxyphenyl)benzamide

C19H17ClN2O5S — CID 2087030

IUPAC4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccco2)c1
InChIInChI=1S/C19H17ClN2O5S/c1-26-17-7-3-2-6-16(17)22-19(23)13-8-9-15(20)18(11-13)28(24,25)21-12-14-5-4-10-27-14/h2-11,21H,12H2,1H3,(H,22,23)
InChIKeyFBHKFDXRXVOZIW-UHFFFAOYSA-N
MW420.87 g/mol
LogP3.67
Rot. Bonds7

About 4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-(2-methoxyphenyl)benzamide

4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-(2-methoxyphenyl)benzamide (PubChem CID 2087030) has the molecular formula C19H17ClN2O5S and a molecular weight of 420.87 g/mol. Its IUPAC name is 4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-(2-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-(2-methoxyphenyl)benzamide
PubChem CID2087030
Molecular FormulaC19H17ClN2O5S
Molecular Weight420.87 g/mol
Exact Mass420.05
IUPAC Name4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccco2)c1
InChIInChI=1S/C19H17ClN2O5S/c1-26-17-7-3-2-6-16(17)22-19(23)13-8-9-15(20)18(11-13)28(24,25)21-12-14-5-4-10-27-14/h2-11,21H,12H2,1H3,(H,22,23)
InChIKeyFBHKFDXRXVOZIW-UHFFFAOYSA-N
XLogP3.67
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.87
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-(2-methoxyphenyl)benzamide?
The IUPAC name of 4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-(2-methoxyphenyl)benzamide (CID 2087030) is 4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-(2-methoxyphenyl)benzamide.
What is the SMILES notation for 4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-(2-methoxyphenyl)benzamide?
The canonical SMILES for 4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-(2-methoxyphenyl)benzamide is COc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccco2)c1.
What is the InChIKey of 4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-(2-methoxyphenyl)benzamide?
The InChIKey is FBHKFDXRXVOZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O5S/c1-26-17-7-3-2-6-16(17)22-19(23)13-8-9-15(20)18(11-13)28(24,25)21-12-14-5-4-10-27-14/h2-11,21H,12H2,1H3,(H,22,23).
What are the key properties of 4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-(2-methoxyphenyl)benzamide?
4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-(2-methoxyphenyl)benzamide has a molecular weight of 420.87 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-(2-methoxyphenyl)benzamide is sourced from PubChem (CID 2087030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).