N-[1-[(3-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide

C17H14FN3O3S — CID 52913768

IUPACN-[1-[(3-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide
SMILESO=C(Nc1ccn(S(=O)(=O)Cc2cccc(F)c2)c1)c1ccccn1
InChIInChI=1S/C17H14FN3O3S/c18-14-5-3-4-13(10-14)12-25(23,24)21-9-7-15(11-21)20-17(22)16-6-1-2-8-19-16/h1-11H,12H2,(H,20,22)
InChIKeyIJXSIQBKGMIWSH-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.65
Rot. Bonds5

About N-[1-[(3-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide

N-[1-[(3-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide (PubChem CID 52913768) has the molecular formula C17H14FN3O3S and a molecular weight of 359.38 g/mol. Its IUPAC name is N-[1-[(3-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide
PubChem CID52913768
Molecular FormulaC17H14FN3O3S
Molecular Weight359.38 g/mol
Exact Mass359.07
IUPAC NameN-[1-[(3-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide
SMILESO=C(Nc1ccn(S(=O)(=O)Cc2cccc(F)c2)c1)c1ccccn1
InChIInChI=1S/C17H14FN3O3S/c18-14-5-3-4-13(10-14)12-25(23,24)21-9-7-15(11-21)20-17(22)16-6-1-2-8-19-16/h1-11H,12H2,(H,20,22)
InChIKeyIJXSIQBKGMIWSH-UHFFFAOYSA-N
XLogP2.65
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[(3-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide?
The IUPAC name of N-[1-[(3-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide (CID 52913768) is N-[1-[(3-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[(3-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-[(3-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide is O=C(Nc1ccn(S(=O)(=O)Cc2cccc(F)c2)c1)c1ccccn1.
What is the InChIKey of N-[1-[(3-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide?
The InChIKey is IJXSIQBKGMIWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O3S/c18-14-5-3-4-13(10-14)12-25(23,24)21-9-7-15(11-21)20-17(22)16-6-1-2-8-19-16/h1-11H,12H2,(H,20,22).
What are the key properties of N-[1-[(3-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide?
N-[1-[(3-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide has a molecular weight of 359.38 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 52913768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).