1-benzyl-N-methyl-4-sulfamoylpyrrole-2-carboxamide

C13H15N3O3S — CID 114612001

IUPAC1-benzyl-N-methyl-4-sulfamoylpyrrole-2-carboxamide
SMILESCNC(=O)c1cc(S(N)(=O)=O)cn1Cc1ccccc1
InChIInChI=1S/C13H15N3O3S/c1-15-13(17)12-7-11(20(14,18)19)9-16(12)8-10-5-3-2-4-6-10/h2-7,9H,8H2,1H3,(H,15,17)(H2,14,18,19)
InChIKeyGLCFFTBAAJJUAM-UHFFFAOYSA-N
MW293.35 g/mol
LogP0.54
Rot. Bonds4

About 1-benzyl-N-methyl-4-sulfamoylpyrrole-2-carboxamide

1-benzyl-N-methyl-4-sulfamoylpyrrole-2-carboxamide (PubChem CID 114612001) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 1-benzyl-N-methyl-4-sulfamoylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-methyl-4-sulfamoylpyrrole-2-carboxamide
PubChem CID114612001
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name1-benzyl-N-methyl-4-sulfamoylpyrrole-2-carboxamide
SMILESCNC(=O)c1cc(S(N)(=O)=O)cn1Cc1ccccc1
InChIInChI=1S/C13H15N3O3S/c1-15-13(17)12-7-11(20(14,18)19)9-16(12)8-10-5-3-2-4-6-10/h2-7,9H,8H2,1H3,(H,15,17)(H2,14,18,19)
InChIKeyGLCFFTBAAJJUAM-UHFFFAOYSA-N
XLogP0.54
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 ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyethyl)-N-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 114611998
1-benzyl-5-(octan-4-ylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114138398
1-benzyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide
CID 52563431
1-(2-methoxyethyl)-4-sulfamoylpyrrole-2-carboxylic acid
CID 114612786
1-benzyl-N-methyl-5-(methylaminomethyl)-2-oxopyridine-3-carboxamide
CID 126676383
1-benzyl-N-methylsulfonylpyrrole-2-carboxamide
CID 146154244
1-benzyl-2,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxamide
CID 75511767
N-(2,2-difluoroethyl)-1-(2-methoxyethyl)-4-sulfamoylpyrrole-2-carboxamide
CID 114612444
N-(1-ethoxypropan-2-yl)-1-ethyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612273
1-(2-methoxyethyl)-N-(2-methylbutan-2-yl)-4-sulfamoylpyrrole-2-carboxamide
CID 114611880
1-benzyl-N-methoxypyrrole-2-carboxamide
CID 52568041
N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethyl-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 102558605

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-methyl-4-sulfamoylpyrrole-2-carboxamide?
The IUPAC name of 1-benzyl-N-methyl-4-sulfamoylpyrrole-2-carboxamide (CID 114612001) is 1-benzyl-N-methyl-4-sulfamoylpyrrole-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-methyl-4-sulfamoylpyrrole-2-carboxamide?
The canonical SMILES for 1-benzyl-N-methyl-4-sulfamoylpyrrole-2-carboxamide is CNC(=O)c1cc(S(N)(=O)=O)cn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-methyl-4-sulfamoylpyrrole-2-carboxamide?
The InChIKey is GLCFFTBAAJJUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-15-13(17)12-7-11(20(14,18)19)9-16(12)8-10-5-3-2-4-6-10/h2-7,9H,8H2,1H3,(H,15,17)(H2,14,18,19).
What are the key properties of 1-benzyl-N-methyl-4-sulfamoylpyrrole-2-carboxamide?
1-benzyl-N-methyl-4-sulfamoylpyrrole-2-carboxamide has a molecular weight of 293.35 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-methyl-4-sulfamoylpyrrole-2-carboxamide is sourced from PubChem (CID 114612001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).