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

C13H15N3O3S — CID 8003626

IUPAC1-methyl-N-[(4-sulfamoylphenyl)methyl]pyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H15N3O3S/c1-16-8-2-3-12(16)13(17)15-9-10-4-6-11(7-5-10)20(14,18)19/h2-8H,9H2,1H3,(H,15,17)(H2,14,18,19)
InChIKeyFORSLYDIFKVEPW-UHFFFAOYSA-N
MW293.35 g/mol
LogP0.60
Rot. Bonds4

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

1-methyl-N-[(4-sulfamoylphenyl)methyl]pyrrole-2-carboxamide (PubChem CID 8003626) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 1-methyl-N-[(4-sulfamoylphenyl)methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(4-sulfamoylphenyl)methyl]pyrrole-2-carboxamide
PubChem CID8003626
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name1-methyl-N-[(4-sulfamoylphenyl)methyl]pyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H15N3O3S/c1-16-8-2-3-12(16)13(17)15-9-10-4-6-11(7-5-10)20(14,18)19/h2-8H,9H2,1H3,(H,15,17)(H2,14,18,19)
InChIKeyFORSLYDIFKVEPW-UHFFFAOYSA-N
XLogP0.60
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(4-sulfamoylphenyl)methyl]pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-N-[(4-sulfamoylphenyl)methyl]pyrrole-2-carboxamide (CID 8003626) is 1-methyl-N-[(4-sulfamoylphenyl)methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[(4-sulfamoylphenyl)methyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[(4-sulfamoylphenyl)methyl]pyrrole-2-carboxamide is Cn1cccc1C(=O)NCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 1-methyl-N-[(4-sulfamoylphenyl)methyl]pyrrole-2-carboxamide?
The InChIKey is FORSLYDIFKVEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-16-8-2-3-12(16)13(17)15-9-10-4-6-11(7-5-10)20(14,18)19/h2-8H,9H2,1H3,(H,15,17)(H2,14,18,19).
What are the key properties of 1-methyl-N-[(4-sulfamoylphenyl)methyl]pyrrole-2-carboxamide?
1-methyl-N-[(4-sulfamoylphenyl)methyl]pyrrole-2-carboxamide has a molecular weight of 293.35 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(4-sulfamoylphenyl)methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 8003626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).