4-amino-N-[(4-sulfamoylphenyl)methyl]-1H-pyrrole-2-carboxamide

C12H14N4O3S — CID 43642870

IUPAC4-amino-N-[(4-sulfamoylphenyl)methyl]-1H-pyrrole-2-carboxamide
SMILESNc1c[nH]c(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C12H14N4O3S/c13-9-5-11(15-7-9)12(17)16-6-8-1-3-10(4-2-8)20(14,18)19/h1-5,7,15H,6,13H2,(H,16,17)(H2,14,18,19)
InChIKeyQVPOGVAAHCZBCF-UHFFFAOYSA-N
MW294.34 g/mol
LogP0.17
Rot. Bonds4

About 4-amino-N-[(4-sulfamoylphenyl)methyl]-1H-pyrrole-2-carboxamide

4-amino-N-[(4-sulfamoylphenyl)methyl]-1H-pyrrole-2-carboxamide (PubChem CID 43642870) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is 4-amino-N-[(4-sulfamoylphenyl)methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(4-sulfamoylphenyl)methyl]-1H-pyrrole-2-carboxamide
PubChem CID43642870
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC Name4-amino-N-[(4-sulfamoylphenyl)methyl]-1H-pyrrole-2-carboxamide
SMILESNc1c[nH]c(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C12H14N4O3S/c13-9-5-11(15-7-9)12(17)16-6-8-1-3-10(4-2-8)20(14,18)19/h1-5,7,15H,6,13H2,(H,16,17)(H2,14,18,19)
InChIKeyQVPOGVAAHCZBCF-UHFFFAOYSA-N
XLogP0.17
TPSA131.07 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 50.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide
CID 81310942
N-[(4-sulfamoylphenyl)methyl]-1H-indole-2-carboxamide
CID 23025509
4-fluoro-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 759573
2,6-dichloro-N-[(4-sulfamoylphenyl)methyl]pyridine-4-carboxamide
CID 84580537
4-chloro-N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 119048587
4-chloro-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide
CID 43216964
8-fluoro-4-oxo-N-[(4-sulfamoylphenyl)methyl]-1H-quinoline-2-carboxamide
CID 74232223
2-bromo-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 1150876
3,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 1011870
N-[(4-sulfamoylphenyl)methyl]naphthalene-1-carboxamide
CID 4125317
4-chloro-3-sulfamoyl-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 2566555
5-bromo-N-[(4-sulfamoylphenyl)methyl]pyrazine-2-carboxamide
CID 112521897

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-sulfamoylphenyl)methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[(4-sulfamoylphenyl)methyl]-1H-pyrrole-2-carboxamide (CID 43642870) is 4-amino-N-[(4-sulfamoylphenyl)methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[(4-sulfamoylphenyl)methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[(4-sulfamoylphenyl)methyl]-1H-pyrrole-2-carboxamide is Nc1c[nH]c(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of 4-amino-N-[(4-sulfamoylphenyl)methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is QVPOGVAAHCZBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c13-9-5-11(15-7-9)12(17)16-6-8-1-3-10(4-2-8)20(14,18)19/h1-5,7,15H,6,13H2,(H,16,17)(H2,14,18,19).
What are the key properties of 4-amino-N-[(4-sulfamoylphenyl)methyl]-1H-pyrrole-2-carboxamide?
4-amino-N-[(4-sulfamoylphenyl)methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 294.34 g/mol, XLogP of 0.17, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-sulfamoylphenyl)methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 43642870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).