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

C17H14FN3O3S — CID 52913772

IUPACN-[1-[(2-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide
SMILESO=C(Nc1ccn(S(=O)(=O)Cc2ccccc2F)c1)c1ccccn1
InChIInChI=1S/C17H14FN3O3S/c18-15-6-2-1-5-13(15)12-25(23,24)21-10-8-14(11-21)20-17(22)16-7-3-4-9-19-16/h1-11H,12H2,(H,20,22)
InChIKeyCGCGVFWVVXOZDL-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.65
Rot. Bonds5

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

N-[1-[(2-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide (PubChem CID 52913772) has the molecular formula C17H14FN3O3S and a molecular weight of 359.38 g/mol. Its IUPAC name is N-[1-[(2-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide
PubChem CID52913772
Molecular FormulaC17H14FN3O3S
Molecular Weight359.38 g/mol
Exact Mass359.07
IUPAC NameN-[1-[(2-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide
SMILESO=C(Nc1ccn(S(=O)(=O)Cc2ccccc2F)c1)c1ccccn1
InChIInChI=1S/C17H14FN3O3S/c18-15-6-2-1-5-13(15)12-25(23,24)21-10-8-14(11-21)20-17(22)16-7-3-4-9-19-16/h1-11H,12H2,(H,20,22)
InChIKeyCGCGVFWVVXOZDL-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

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Related Compounds

Verubecestat
CID 51352361
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N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-2-carboxamide
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CID 10344437
N-(4-tert-butylphenyl)-4-(3-(ethylsulfonamido)pyridin-2-yl)benzamide
CID 44416863
N-(4-(N-(2-fluorophenyl)sulfamoyl)phenyl)picolinamide
CID 45111509
N-[1-[(2-chlorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide
CID 51347212
N-[1-[(4-chlorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide
CID 52913077
N-[1-(3-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
CID 52913659
N-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
CID 52913660
N-[1-[(3-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide
CID 52913768

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide?
The IUPAC name of N-[1-[(2-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide (CID 52913772) is N-[1-[(2-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[(2-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-[(2-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide is O=C(Nc1ccn(S(=O)(=O)Cc2ccccc2F)c1)c1ccccn1.
What is the InChIKey of N-[1-[(2-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide?
The InChIKey is CGCGVFWVVXOZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O3S/c18-15-6-2-1-5-13(15)12-25(23,24)21-10-8-14(11-21)20-17(22)16-7-3-4-9-19-16/h1-11H,12H2,(H,20,22).
What are the key properties of N-[1-[(2-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide?
N-[1-[(2-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-[(2-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 52913772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).