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

C16H12FN3O3S — CID 52914100

IUPACN-[1-(4-fluorophenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
SMILESO=C(Nc1ccn(S(=O)(=O)c2ccc(F)cc2)c1)c1ccccn1
InChIInChI=1S/C16H12FN3O3S/c17-12-4-6-14(7-5-12)24(22,23)20-10-8-13(11-20)19-16(21)15-3-1-2-9-18-15/h1-11H,(H,19,21)
InChIKeyBJRKRJUIRNGBEK-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.51
Rot. Bonds4

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

N-[1-(4-fluorophenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide (PubChem CID 52914100) has the molecular formula C16H12FN3O3S and a molecular weight of 345.36 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
PubChem CID52914100
Molecular FormulaC16H12FN3O3S
Molecular Weight345.36 g/mol
Exact Mass345.06
IUPAC NameN-[1-(4-fluorophenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
SMILESO=C(Nc1ccn(S(=O)(=O)c2ccc(F)cc2)c1)c1ccccn1
InChIInChI=1S/C16H12FN3O3S/c17-12-4-6-14(7-5-12)24(22,23)20-10-8-13(11-20)19-16(21)15-3-1-2-9-18-15/h1-11H,(H,19,21)
InChIKeyBJRKRJUIRNGBEK-UHFFFAOYSA-N
XLogP2.51
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide (CID 52914100) is N-[1-(4-fluorophenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide is O=C(Nc1ccn(S(=O)(=O)c2ccc(F)cc2)c1)c1ccccn1.
What is the InChIKey of N-[1-(4-fluorophenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide?
The InChIKey is BJRKRJUIRNGBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O3S/c17-12-4-6-14(7-5-12)24(22,23)20-10-8-13(11-20)19-16(21)15-3-1-2-9-18-15/h1-11H,(H,19,21).
What are the key properties of N-[1-(4-fluorophenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide?
N-[1-(4-fluorophenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide has a molecular weight of 345.36 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 52914100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).