3-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

C19H19N3O3S — CID 27538652

IUPAC3-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2cccc(-n3cccc3)c2)cc1
InChIInChI=1S/C19H19N3O3S/c20-26(24,25)18-8-6-15(7-9-18)10-11-21-19(23)16-4-3-5-17(14-16)22-12-1-2-13-22/h1-9,12-14H,10-11H2,(H,21,23)(H2,20,24,25)
InChIKeyWQOBVJIYSMWMBD-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.10
Rot. Bonds6

About 3-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

3-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide (PubChem CID 27538652) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 3-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
PubChem CID27538652
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name3-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2cccc(-n3cccc3)c2)cc1
InChIInChI=1S/C19H19N3O3S/c20-26(24,25)18-8-6-15(7-9-18)10-11-21-19(23)16-4-3-5-17(14-16)22-12-1-2-13-22/h1-9,12-14H,10-11H2,(H,21,23)(H2,20,24,25)
InChIKeyWQOBVJIYSMWMBD-UHFFFAOYSA-N
XLogP2.10
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-pyrrol-1-yl-N-[3-(4-sulfamoylphenyl)propyl]benzamide
CID 110310749
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 6420184
3-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 670722
N-[3-(4-hydroxyphenyl)propyl]-3-pyrrol-1-ylbenzamide
CID 86972966
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
3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 2683013
1-(3-iodophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide
CID 60604256
5-fluoro-2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 45493285
3-(1H-pyrazol-4-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 74249008
5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-carboxamide
CID 1247099
5-bromo-N-[3-[2-(4-sulfamoylphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 55771554

Frequently Asked Questions

What is the IUPAC name of 3-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The IUPAC name of 3-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide (CID 27538652) is 3-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide.
What is the SMILES notation for 3-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The canonical SMILES for 3-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide is NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(-n3cccc3)c2)cc1.
What is the InChIKey of 3-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The InChIKey is WQOBVJIYSMWMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c20-26(24,25)18-8-6-15(7-9-18)10-11-21-19(23)16-4-3-5-17(14-16)22-12-1-2-13-22/h1-9,12-14H,10-11H2,(H,21,23)(H2,20,24,25).
What are the key properties of 3-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
3-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide has a molecular weight of 369.45 g/mol, XLogP of 2.10, 6 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-[2-(4-sulfamoylphenyl)ethyl]benzamide is sourced from PubChem (CID 27538652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).