1-methyl-N-(4-methylphenyl)sulfonylpyrrole-2-carboxamide

C13H14N2O3S — CID 2318098

IUPAC1-methyl-N-(4-methylphenyl)sulfonylpyrrole-2-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)c2cccn2C)cc1
InChIInChI=1S/C13H14N2O3S/c1-10-5-7-11(8-6-10)19(17,18)14-13(16)12-4-3-9-15(12)2/h3-9H,1-2H3,(H,14,16)
InChIKeyFGQOZOMONIIPJE-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.45
Rot. Bonds3

About 1-methyl-N-(4-methylphenyl)sulfonylpyrrole-2-carboxamide

1-methyl-N-(4-methylphenyl)sulfonylpyrrole-2-carboxamide (PubChem CID 2318098) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 1-methyl-N-(4-methylphenyl)sulfonylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(4-methylphenyl)sulfonylpyrrole-2-carboxamide
PubChem CID2318098
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name1-methyl-N-(4-methylphenyl)sulfonylpyrrole-2-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)c2cccn2C)cc1
InChIInChI=1S/C13H14N2O3S/c1-10-5-7-11(8-6-10)19(17,18)14-13(16)12-4-3-9-15(12)2/h3-9H,1-2H3,(H,14,16)
InChIKeyFGQOZOMONIIPJE-UHFFFAOYSA-N
XLogP1.45
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(4-methylphenyl)sulfonylpyrrole-2-carboxamide?
The IUPAC name of 1-methyl-N-(4-methylphenyl)sulfonylpyrrole-2-carboxamide (CID 2318098) is 1-methyl-N-(4-methylphenyl)sulfonylpyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-(4-methylphenyl)sulfonylpyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-N-(4-methylphenyl)sulfonylpyrrole-2-carboxamide is Cc1ccc(S(=O)(=O)NC(=O)c2cccn2C)cc1.
What is the InChIKey of 1-methyl-N-(4-methylphenyl)sulfonylpyrrole-2-carboxamide?
The InChIKey is FGQOZOMONIIPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-10-5-7-11(8-6-10)19(17,18)14-13(16)12-4-3-9-15(12)2/h3-9H,1-2H3,(H,14,16).
What are the key properties of 1-methyl-N-(4-methylphenyl)sulfonylpyrrole-2-carboxamide?
1-methyl-N-(4-methylphenyl)sulfonylpyrrole-2-carboxamide has a molecular weight of 278.33 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4-methylphenyl)sulfonylpyrrole-2-carboxamide is sourced from PubChem (CID 2318098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).