N-(3-cyclopentylsulfonylphenyl)-2-fluoropyridine-3-carboxamide

C17H17FN2O3S — CID 155781142

IUPACN-(3-cyclopentylsulfonylphenyl)-2-fluoropyridine-3-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1cccnc1F
InChIInChI=1S/C17H17FN2O3S/c18-16-15(9-4-10-19-16)17(21)20-12-5-3-8-14(11-12)24(22,23)13-6-1-2-7-13/h3-5,8-11,13H,1-2,6-7H2,(H,20,21)
InChIKeyOHHVSULWRNXIEP-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.19
Rot. Bonds4

About N-(3-cyclopentylsulfonylphenyl)-2-fluoropyridine-3-carboxamide

N-(3-cyclopentylsulfonylphenyl)-2-fluoropyridine-3-carboxamide (PubChem CID 155781142) has the molecular formula C17H17FN2O3S and a molecular weight of 348.40 g/mol. Its IUPAC name is N-(3-cyclopentylsulfonylphenyl)-2-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopentylsulfonylphenyl)-2-fluoropyridine-3-carboxamide
PubChem CID155781142
Molecular FormulaC17H17FN2O3S
Molecular Weight348.40 g/mol
Exact Mass348.09
IUPAC NameN-(3-cyclopentylsulfonylphenyl)-2-fluoropyridine-3-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1cccnc1F
InChIInChI=1S/C17H17FN2O3S/c18-16-15(9-4-10-19-16)17(21)20-12-5-3-8-14(11-12)24(22,23)13-6-1-2-7-13/h3-5,8-11,13H,1-2,6-7H2,(H,20,21)
InChIKeyOHHVSULWRNXIEP-UHFFFAOYSA-N
XLogP3.19
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(3-cyclopentylsulfonylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 39207980
N-(3-cyclopentylsulfonylphenyl)thiophene-2-carboxamide
CID 39209914
N-(3-cyclopentylsulfonylphenyl)thiophene-3-carboxamide
CID 39208667
3-chloro-N-(3-cyclopentylsulfonylphenyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 39209798
N-(3-cyclopentylsulfonylphenyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 55612855
N-(3-cyclopentylsulfonylphenyl)-2-phenyltriazole-4-carboxamide
CID 47026452
3-acetamido-N-(3-cyclopentylsulfonylphenyl)-4-methylbenzamide
CID 46473011
N-(3-cyclopentylsulfonylphenyl)-2-ethyl-1,3-oxazole-4-carboxamide
CID 86815081
2-methyl-N-(3-sulfamoylphenyl)pyridine-3-carboxamide
CID 78950909
N-(3-cyclopentylsulfonylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55852070
2-(4-bromophenyl)-N-(3-cyclopentylsulfonylphenyl)acetamide
CID 39209795
N-(3-cyclopentylsulfonylphenyl)-6-(2-hydroxyethylamino)-2-(4-propan-2-ylidenepiperidin-1-yl)pyridine-3-carboxamide
CID 167273048

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentylsulfonylphenyl)-2-fluoropyridine-3-carboxamide?
The IUPAC name of N-(3-cyclopentylsulfonylphenyl)-2-fluoropyridine-3-carboxamide (CID 155781142) is N-(3-cyclopentylsulfonylphenyl)-2-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-(3-cyclopentylsulfonylphenyl)-2-fluoropyridine-3-carboxamide?
The canonical SMILES for N-(3-cyclopentylsulfonylphenyl)-2-fluoropyridine-3-carboxamide is O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1cccnc1F.
What is the InChIKey of N-(3-cyclopentylsulfonylphenyl)-2-fluoropyridine-3-carboxamide?
The InChIKey is OHHVSULWRNXIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3S/c18-16-15(9-4-10-19-16)17(21)20-12-5-3-8-14(11-12)24(22,23)13-6-1-2-7-13/h3-5,8-11,13H,1-2,6-7H2,(H,20,21).
What are the key properties of N-(3-cyclopentylsulfonylphenyl)-2-fluoropyridine-3-carboxamide?
N-(3-cyclopentylsulfonylphenyl)-2-fluoropyridine-3-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylsulfonylphenyl)-2-fluoropyridine-3-carboxamide is sourced from PubChem (CID 155781142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).