N-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide

C17H15N3O3S — CID 52913660

IUPACN-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)cc1
InChIInChI=1S/C17H15N3O3S/c1-13-5-7-15(8-6-13)24(22,23)20-11-9-14(12-20)19-17(21)16-4-2-3-10-18-16/h2-12H,1H3,(H,19,21)
InChIKeyFAZVQXJWCLJVNP-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.68
Rot. Bonds4

About N-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide

N-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide (PubChem CID 52913660) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
PubChem CID52913660
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC NameN-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)cc1
InChIInChI=1S/C17H15N3O3S/c1-13-5-7-15(8-6-13)24(22,23)20-11-9-14(12-20)19-17(21)16-4-2-3-10-18-16/h2-12H,1H3,(H,19,21)
InChIKeyFAZVQXJWCLJVNP-UHFFFAOYSA-N
XLogP2.68
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide?
The IUPAC name of N-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide (CID 52913660) is N-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide is Cc1ccc(S(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide?
The InChIKey is FAZVQXJWCLJVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-13-5-7-15(8-6-13)24(22,23)20-11-9-14(12-20)19-17(21)16-4-2-3-10-18-16/h2-12H,1H3,(H,19,21).
What are the key properties of N-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide?
N-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide has a molecular weight of 341.39 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 52913660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).