1-benzyl-N-methylsulfonylpyrrole-2-carboxamide

C13H14N2O3S — CID 146154244

IUPAC1-benzyl-N-methylsulfonylpyrrole-2-carboxamide
SMILESCS(=O)(=O)NC(=O)c1cccn1Cc1ccccc1
InChIInChI=1S/C13H14N2O3S/c1-19(17,18)14-13(16)12-8-5-9-15(12)10-11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H,14,16)
InChIKeyWIZZQQAEPURGHH-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.23
Rot. Bonds4

About 1-benzyl-N-methylsulfonylpyrrole-2-carboxamide

1-benzyl-N-methylsulfonylpyrrole-2-carboxamide (PubChem CID 146154244) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 1-benzyl-N-methylsulfonylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-methylsulfonylpyrrole-2-carboxamide
PubChem CID146154244
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name1-benzyl-N-methylsulfonylpyrrole-2-carboxamide
SMILESCS(=O)(=O)NC(=O)c1cccn1Cc1ccccc1
InChIInChI=1S/C13H14N2O3S/c1-19(17,18)14-13(16)12-8-5-9-15(12)10-11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H,14,16)
InChIKeyWIZZQQAEPURGHH-UHFFFAOYSA-N
XLogP1.23
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-methoxypyrrole-2-carboxamide
CID 52568041
1-benzyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 83029854
1-benzyl-N-methylsulfonylindole-5-carboxamide
CID 171343054
N-(3-acetamidophenyl)-1-benzylpyrrole-2-carboxamide
CID 134022751
1-benzyl-N-(1H-1,2,4-triazol-5-yl)pyrrole-2-carboxamide
CID 52575128
1-benzyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide
CID 52563431
methyl (3S)-3-[(1-benzylpyrrole-2-carbonyl)amino]butanoate
CID 95933774
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1-benzylpyrrole-2-carboxamide
CID 113250333
1-(1-benzylpyrrol-2-yl)-2-chloro-2-methylpropan-1-one;ethane
CID 142905461
1-benzyl-N-[2-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide
CID 113223649
1-benzyl-N-(3-methylpyrrolidin-3-yl)pyrrole-2-carboxamide
CID 107422969
1-benzyl-N-[3-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide
CID 113223648

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-methylsulfonylpyrrole-2-carboxamide?
The IUPAC name of 1-benzyl-N-methylsulfonylpyrrole-2-carboxamide (CID 146154244) is 1-benzyl-N-methylsulfonylpyrrole-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-methylsulfonylpyrrole-2-carboxamide?
The canonical SMILES for 1-benzyl-N-methylsulfonylpyrrole-2-carboxamide is CS(=O)(=O)NC(=O)c1cccn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-methylsulfonylpyrrole-2-carboxamide?
The InChIKey is WIZZQQAEPURGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-19(17,18)14-13(16)12-8-5-9-15(12)10-11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H,14,16).
What are the key properties of 1-benzyl-N-methylsulfonylpyrrole-2-carboxamide?
1-benzyl-N-methylsulfonylpyrrole-2-carboxamide has a molecular weight of 278.33 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-methylsulfonylpyrrole-2-carboxamide is sourced from PubChem (CID 146154244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).