3-pyrrol-1-yl-N-[3-(4-sulfamoylphenyl)propyl]benzamide

C20H21N3O3S — CID 110310749

IUPAC3-pyrrol-1-yl-N-[3-(4-sulfamoylphenyl)propyl]benzamide
SMILESNS(=O)(=O)c1ccc(CCCNC(=O)c2cccc(-n3cccc3)c2)cc1
InChIInChI=1S/C20H21N3O3S/c21-27(25,26)19-10-8-16(9-11-19)5-4-12-22-20(24)17-6-3-7-18(15-17)23-13-1-2-14-23/h1-3,6-11,13-15H,4-5,12H2,(H,22,24)(H2,21,25,26)
InChIKeyCKIIJCFVFCAGRF-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.49
Rot. Bonds7

About 3-pyrrol-1-yl-N-[3-(4-sulfamoylphenyl)propyl]benzamide

3-pyrrol-1-yl-N-[3-(4-sulfamoylphenyl)propyl]benzamide (PubChem CID 110310749) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 3-pyrrol-1-yl-N-[3-(4-sulfamoylphenyl)propyl]benzamide.

Molecular Properties

Compound Name3-pyrrol-1-yl-N-[3-(4-sulfamoylphenyl)propyl]benzamide
PubChem CID110310749
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name3-pyrrol-1-yl-N-[3-(4-sulfamoylphenyl)propyl]benzamide
SMILESNS(=O)(=O)c1ccc(CCCNC(=O)c2cccc(-n3cccc3)c2)cc1
InChIInChI=1S/C20H21N3O3S/c21-27(25,26)19-10-8-16(9-11-19)5-4-12-22-20(24)17-6-3-7-18(15-17)23-13-1-2-14-23/h1-3,6-11,13-15H,4-5,12H2,(H,22,24)(H2,21,25,26)
InChIKeyCKIIJCFVFCAGRF-UHFFFAOYSA-N
XLogP2.49
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 27538652
N-[3-(4-hydroxyphenyl)propyl]-3-pyrrol-1-ylbenzamide
CID 86972966
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 6420184
N-(4-acetamidobutyl)-3-pyrrol-1-ylbenzamide
CID 110356799
N-(4-methoxybutyl)-3-pyrrol-1-ylbenzamide
CID 110617094
3-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 670722
2-chloro-N-[3-(4-sulfamoylphenyl)propyl]benzamide
CID 110293759
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 46520228
3-(2-methylpropanoylamino)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 1308646
N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-3-pyrrol-1-ylbenzamide
CID 110309684
2-methyl-N-[3-(4-sulfamoylphenyl)propyl]propanamide
CID 60905744
2,4-dichloro-N-[3-(4-sulfamoylphenyl)propyl]benzamide
CID 110293779

Frequently Asked Questions

What is the IUPAC name of 3-pyrrol-1-yl-N-[3-(4-sulfamoylphenyl)propyl]benzamide?
The IUPAC name of 3-pyrrol-1-yl-N-[3-(4-sulfamoylphenyl)propyl]benzamide (CID 110310749) is 3-pyrrol-1-yl-N-[3-(4-sulfamoylphenyl)propyl]benzamide.
What is the SMILES notation for 3-pyrrol-1-yl-N-[3-(4-sulfamoylphenyl)propyl]benzamide?
The canonical SMILES for 3-pyrrol-1-yl-N-[3-(4-sulfamoylphenyl)propyl]benzamide is NS(=O)(=O)c1ccc(CCCNC(=O)c2cccc(-n3cccc3)c2)cc1.
What is the InChIKey of 3-pyrrol-1-yl-N-[3-(4-sulfamoylphenyl)propyl]benzamide?
The InChIKey is CKIIJCFVFCAGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c21-27(25,26)19-10-8-16(9-11-19)5-4-12-22-20(24)17-6-3-7-18(15-17)23-13-1-2-14-23/h1-3,6-11,13-15H,4-5,12H2,(H,22,24)(H2,21,25,26).
What are the key properties of 3-pyrrol-1-yl-N-[3-(4-sulfamoylphenyl)propyl]benzamide?
3-pyrrol-1-yl-N-[3-(4-sulfamoylphenyl)propyl]benzamide has a molecular weight of 383.47 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrol-1-yl-N-[3-(4-sulfamoylphenyl)propyl]benzamide is sourced from PubChem (CID 110310749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).