3-(furan-2-ylmethylsulfamoyl)-N-(3-pyrrol-1-ylphenyl)benzamide

C22H19N3O4S — CID 55728535

IUPAC3-(furan-2-ylmethylsulfamoyl)-N-(3-pyrrol-1-ylphenyl)benzamide
SMILESO=C(Nc1cccc(-n2cccc2)c1)c1cccc(S(=O)(=O)NCc2ccco2)c1
InChIInChI=1S/C22H19N3O4S/c26-22(24-18-7-4-8-19(15-18)25-11-1-2-12-25)17-6-3-10-21(14-17)30(27,28)23-16-20-9-5-13-29-20/h1-15,23H,16H2,(H,24,26)
InChIKeyFJEUTYSMCMWLCT-UHFFFAOYSA-N
MW421.48 g/mol
LogP3.80
Rot. Bonds7

About 3-(furan-2-ylmethylsulfamoyl)-N-(3-pyrrol-1-ylphenyl)benzamide

3-(furan-2-ylmethylsulfamoyl)-N-(3-pyrrol-1-ylphenyl)benzamide (PubChem CID 55728535) has the molecular formula C22H19N3O4S and a molecular weight of 421.48 g/mol. Its IUPAC name is 3-(furan-2-ylmethylsulfamoyl)-N-(3-pyrrol-1-ylphenyl)benzamide.

Molecular Properties

Compound Name3-(furan-2-ylmethylsulfamoyl)-N-(3-pyrrol-1-ylphenyl)benzamide
PubChem CID55728535
Molecular FormulaC22H19N3O4S
Molecular Weight421.48 g/mol
Exact Mass421.11
IUPAC Name3-(furan-2-ylmethylsulfamoyl)-N-(3-pyrrol-1-ylphenyl)benzamide
SMILESO=C(Nc1cccc(-n2cccc2)c1)c1cccc(S(=O)(=O)NCc2ccco2)c1
InChIInChI=1S/C22H19N3O4S/c26-22(24-18-7-4-8-19(15-18)25-11-1-2-12-25)17-6-3-10-21(14-17)30(27,28)23-16-20-9-5-13-29-20/h1-15,23H,16H2,(H,24,26)
InChIKeyFJEUTYSMCMWLCT-UHFFFAOYSA-N
XLogP3.80
TPSA93.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(furan-2-ylmethylsulfamoyl)-N-(3-pyrrol-1-ylphenyl)benzamide
CID 55567977
N-(3,5-dimethylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 26696313
N-(4-bromophenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 2909226
N-(4-bromo-3-methylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 24639566
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-(trifluoromethyl)benzamide
CID 24639746
3-(furan-2-ylmethylsulfamoyl)benzoic acid
CID 972732
N-(2-fluorophenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 24639632
N-[3-(cyclopropylsulfamoyl)phenyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 24584102
1-(4-chlorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]pyrazole-4-carboxamide
CID 55786624
butyl 4-[[3-(furan-2-ylmethylsulfamoyl)benzoyl]amino]benzoate
CID 35143678
4-(furan-2-ylmethylsulfamoyl)-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 55617154
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-methylthiophene-2-carboxamide
CID 35562907

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethylsulfamoyl)-N-(3-pyrrol-1-ylphenyl)benzamide?
The IUPAC name of 3-(furan-2-ylmethylsulfamoyl)-N-(3-pyrrol-1-ylphenyl)benzamide (CID 55728535) is 3-(furan-2-ylmethylsulfamoyl)-N-(3-pyrrol-1-ylphenyl)benzamide.
What is the SMILES notation for 3-(furan-2-ylmethylsulfamoyl)-N-(3-pyrrol-1-ylphenyl)benzamide?
The canonical SMILES for 3-(furan-2-ylmethylsulfamoyl)-N-(3-pyrrol-1-ylphenyl)benzamide is O=C(Nc1cccc(-n2cccc2)c1)c1cccc(S(=O)(=O)NCc2ccco2)c1.
What is the InChIKey of 3-(furan-2-ylmethylsulfamoyl)-N-(3-pyrrol-1-ylphenyl)benzamide?
The InChIKey is FJEUTYSMCMWLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4S/c26-22(24-18-7-4-8-19(15-18)25-11-1-2-12-25)17-6-3-10-21(14-17)30(27,28)23-16-20-9-5-13-29-20/h1-15,23H,16H2,(H,24,26).
What are the key properties of 3-(furan-2-ylmethylsulfamoyl)-N-(3-pyrrol-1-ylphenyl)benzamide?
3-(furan-2-ylmethylsulfamoyl)-N-(3-pyrrol-1-ylphenyl)benzamide has a molecular weight of 421.48 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethylsulfamoyl)-N-(3-pyrrol-1-ylphenyl)benzamide is sourced from PubChem (CID 55728535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).