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

C17H14FN3O3S — CID 52914548

IUPACN-[1-(4-fluoro-3-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
SMILESCc1cc(S(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)ccc1F
InChIInChI=1S/C17H14FN3O3S/c1-12-10-14(5-6-15(12)18)25(23,24)21-9-7-13(11-21)20-17(22)16-4-2-3-8-19-16/h2-11H,1H3,(H,20,22)
InChIKeyAJFPECGYRXUAHZ-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.82
Rot. Bonds4

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

N-[1-(4-fluoro-3-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide (PubChem CID 52914548) has the molecular formula C17H14FN3O3S and a molecular weight of 359.38 g/mol. Its IUPAC name is N-[1-(4-fluoro-3-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluoro-3-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
PubChem CID52914548
Molecular FormulaC17H14FN3O3S
Molecular Weight359.38 g/mol
Exact Mass359.07
IUPAC NameN-[1-(4-fluoro-3-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
SMILESCc1cc(S(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)ccc1F
InChIInChI=1S/C17H14FN3O3S/c1-12-10-14(5-6-15(12)18)25(23,24)21-9-7-13(11-21)20-17(22)16-4-2-3-8-19-16/h2-11H,1H3,(H,20,22)
InChIKeyAJFPECGYRXUAHZ-UHFFFAOYSA-N
XLogP2.82
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluoro-3-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide?
The IUPAC name of N-[1-(4-fluoro-3-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide (CID 52914548) is N-[1-(4-fluoro-3-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(4-fluoro-3-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-(4-fluoro-3-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide is Cc1cc(S(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)ccc1F.
What is the InChIKey of N-[1-(4-fluoro-3-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide?
The InChIKey is AJFPECGYRXUAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O3S/c1-12-10-14(5-6-15(12)18)25(23,24)21-9-7-13(11-21)20-17(22)16-4-2-3-8-19-16/h2-11H,1H3,(H,20,22).
What are the key properties of N-[1-(4-fluoro-3-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide?
N-[1-(4-fluoro-3-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide has a molecular weight of 359.38 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluoro-3-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 52914548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).