4-nitro-N-(3-sulfamoylphenyl)-1H-pyrrole-2-carboxamide

C11H10N4O5S — CID 60692132

IUPAC4-nitro-N-(3-sulfamoylphenyl)-1H-pyrrole-2-carboxamide
SMILESNS(=O)(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)c1
InChIInChI=1S/C11H10N4O5S/c12-21(19,20)9-3-1-2-7(4-9)14-11(16)10-5-8(6-13-10)15(17)18/h1-6,13H,(H,14,16)(H2,12,19,20)
InChIKeyWBDZMOWHPKOLGL-UHFFFAOYSA-N
MW310.29 g/mol
LogP0.82
Rot. Bonds4

About 4-nitro-N-(3-sulfamoylphenyl)-1H-pyrrole-2-carboxamide

4-nitro-N-(3-sulfamoylphenyl)-1H-pyrrole-2-carboxamide (PubChem CID 60692132) has the molecular formula C11H10N4O5S and a molecular weight of 310.29 g/mol. Its IUPAC name is 4-nitro-N-(3-sulfamoylphenyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-nitro-N-(3-sulfamoylphenyl)-1H-pyrrole-2-carboxamide
PubChem CID60692132
Molecular FormulaC11H10N4O5S
Molecular Weight310.29 g/mol
Exact Mass310.04
IUPAC Name4-nitro-N-(3-sulfamoylphenyl)-1H-pyrrole-2-carboxamide
SMILESNS(=O)(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)c1
InChIInChI=1S/C11H10N4O5S/c12-21(19,20)9-3-1-2-7(4-9)14-11(16)10-5-8(6-13-10)15(17)18/h1-6,13H,(H,14,16)(H2,12,19,20)
InChIKeyWBDZMOWHPKOLGL-UHFFFAOYSA-N
XLogP0.82
TPSA148.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.29
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-nitro-N-(3-sulfamoylphenyl)-1H-pyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-nitro-N-(4-sulfamoylphenyl)-1H-pyrrole-2-carboxamide
CID 60674861
N-[3-(3-aminoprop-1-ynyl)phenyl]-4-nitro-1H-pyrrole-2-carboxamide
CID 60803922
3,5-dinitro-N-[(3-sulfamoylphenyl)carbamothioyl]benzamide
CID 90654786
2-(4-nitrophenyl)sulfanyl-N-(3-sulfamoylphenyl)acetamide
CID 4593253
4-hydrazinyl-N-(3-sulfamoylphenyl)benzamide
CID 62237100
N-[4-(2-bromoethyl)phenyl]-4-nitro-1H-pyrrole-2-carboxamide
CID 114310158
N-[4-(2-chloroethyl)phenyl]-4-nitro-1H-pyrrole-2-carboxamide
CID 114299117
4-acetamido-N-(3-sulfamoylphenyl)benzamide
CID 4067351
2,5-dihydroxy-N-(3-sulfamoylphenyl)benzamide
CID 107722283
4-(aminomethyl)-N-(3-sulfamoylphenyl)benzamide
CID 29030560
5-amino-N-(3-sulfamoylphenyl)-1H-pyrazole-4-carboxamide
CID 43337194
4-nitro-N-(3-sulfamoylpropyl)-1H-pyrrole-2-carboxamide
CID 61131829

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-(3-sulfamoylphenyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-nitro-N-(3-sulfamoylphenyl)-1H-pyrrole-2-carboxamide (CID 60692132) is 4-nitro-N-(3-sulfamoylphenyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-nitro-N-(3-sulfamoylphenyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-nitro-N-(3-sulfamoylphenyl)-1H-pyrrole-2-carboxamide is NS(=O)(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)c1.
What is the InChIKey of 4-nitro-N-(3-sulfamoylphenyl)-1H-pyrrole-2-carboxamide?
The InChIKey is WBDZMOWHPKOLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O5S/c12-21(19,20)9-3-1-2-7(4-9)14-11(16)10-5-8(6-13-10)15(17)18/h1-6,13H,(H,14,16)(H2,12,19,20).
What are the key properties of 4-nitro-N-(3-sulfamoylphenyl)-1H-pyrrole-2-carboxamide?
4-nitro-N-(3-sulfamoylphenyl)-1H-pyrrole-2-carboxamide has a molecular weight of 310.29 g/mol, XLogP of 0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-(3-sulfamoylphenyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 60692132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).