4-pyrrol-1-yl-N-(4-sulfamoylphenyl)benzamide

C17H15N3O3S — CID 26718752

IUPAC4-pyrrol-1-yl-N-(4-sulfamoylphenyl)benzamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2ccc(-n3cccc3)cc2)cc1
InChIInChI=1S/C17H15N3O3S/c18-24(22,23)16-9-5-14(6-10-16)19-17(21)13-3-7-15(8-4-13)20-11-1-2-12-20/h1-12H,(H,19,21)(H2,18,22,23)
InChIKeyJRPHMSNYGLFINN-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.38
Rot. Bonds4

About 4-pyrrol-1-yl-N-(4-sulfamoylphenyl)benzamide

4-pyrrol-1-yl-N-(4-sulfamoylphenyl)benzamide (PubChem CID 26718752) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is 4-pyrrol-1-yl-N-(4-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name4-pyrrol-1-yl-N-(4-sulfamoylphenyl)benzamide
PubChem CID26718752
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Name4-pyrrol-1-yl-N-(4-sulfamoylphenyl)benzamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2ccc(-n3cccc3)cc2)cc1
InChIInChI=1S/C17H15N3O3S/c18-24(22,23)16-9-5-14(6-10-16)19-17(21)13-3-7-15(8-4-13)20-11-1-2-12-20/h1-12H,(H,19,21)(H2,18,22,23)
InChIKeyJRPHMSNYGLFINN-UHFFFAOYSA-N
XLogP2.38
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxyphenyl)-4-pyrrol-1-ylbenzamide
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4-fluoro-N-(4-pyrrol-1-ylphenyl)benzamide
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N-(4-piperidin-1-ylphenyl)-4-sulfamoylbenzamide
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1-(4-pyrrol-1-ylphenyl)-3-[(4-sulfamoylphenyl)methyl]urea
CID 108886735
N-(4-cyanophenyl)-4-pyrrol-1-ylbenzamide
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1-oxido-N-(4-sulfamoylphenyl)pyridin-1-ium-4-carboxamide
CID 16961374
N-naphthalen-2-yl-4-sulfamoylbenzamide
CID 24638963
N-[4-(1,3-dioxolan-2-yl)phenyl]-4-pyrrol-1-ylbenzamide
CID 110745346
N-(4-methylsulfonylphenyl)-3-pyrrol-1-ylbenzamide
CID 60605662
N-(3,5-difluorophenyl)-4-sulfamoylbenzamide
CID 27055023
N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4-pyrrol-1-ylbenzamide
CID 110302002

Frequently Asked Questions

What is the IUPAC name of 4-pyrrol-1-yl-N-(4-sulfamoylphenyl)benzamide?
The IUPAC name of 4-pyrrol-1-yl-N-(4-sulfamoylphenyl)benzamide (CID 26718752) is 4-pyrrol-1-yl-N-(4-sulfamoylphenyl)benzamide.
What is the SMILES notation for 4-pyrrol-1-yl-N-(4-sulfamoylphenyl)benzamide?
The canonical SMILES for 4-pyrrol-1-yl-N-(4-sulfamoylphenyl)benzamide is NS(=O)(=O)c1ccc(NC(=O)c2ccc(-n3cccc3)cc2)cc1.
What is the InChIKey of 4-pyrrol-1-yl-N-(4-sulfamoylphenyl)benzamide?
The InChIKey is JRPHMSNYGLFINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c18-24(22,23)16-9-5-14(6-10-16)19-17(21)13-3-7-15(8-4-13)20-11-1-2-12-20/h1-12H,(H,19,21)(H2,18,22,23).
What are the key properties of 4-pyrrol-1-yl-N-(4-sulfamoylphenyl)benzamide?
4-pyrrol-1-yl-N-(4-sulfamoylphenyl)benzamide has a molecular weight of 341.39 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrol-1-yl-N-(4-sulfamoylphenyl)benzamide is sourced from PubChem (CID 26718752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).