1-(3-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)cyclopentane-1-carboxamide

C22H25FN2O3S — CID 9453348

IUPAC1-(3-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)cyclopentane-1-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1(c2cccc(F)c2)CCCC1
InChIInChI=1S/C22H25FN2O3S/c23-18-7-5-6-17(16-18)22(12-1-2-13-22)21(26)24-19-8-10-20(11-9-19)29(27,28)25-14-3-4-15-25/h5-11,16H,1-4,12-15H2,(H,24,26)
InChIKeyKJHAWMKBYHDTDC-UHFFFAOYSA-N
MW416.52 g/mol
LogP4.06
Rot. Bonds5

About 1-(3-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)cyclopentane-1-carboxamide

1-(3-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)cyclopentane-1-carboxamide (PubChem CID 9453348) has the molecular formula C22H25FN2O3S and a molecular weight of 416.52 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)cyclopentane-1-carboxamide
PubChem CID9453348
Molecular FormulaC22H25FN2O3S
Molecular Weight416.52 g/mol
Exact Mass416.16
IUPAC Name1-(3-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)cyclopentane-1-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1(c2cccc(F)c2)CCCC1
InChIInChI=1S/C22H25FN2O3S/c23-18-7-5-6-17(16-18)22(12-1-2-13-22)21(26)24-19-8-10-20(11-9-19)29(27,28)25-14-3-4-15-25/h5-11,16H,1-4,12-15H2,(H,24,26)
InChIKeyKJHAWMKBYHDTDC-UHFFFAOYSA-N
XLogP4.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 16526230
4-(azepan-1-ylsulfonyl)-N-(3-fluorophenyl)benzamide
CID 2665307
1-(3-fluorophenyl)-N-[3-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]cyclopentane-1-carboxamide
CID 55882020
3,5-difluoro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 9415065
2,6-difluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 1247061
N-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 26364802
N,N-diethyl-4-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]benzamide
CID 26899763
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 30669639
2-(3-fluoroanilino)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 17446764
N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 2704882
N-(4-fluorophenyl)-2-[4-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperazin-1-yl]acetamide
CID 55369687
N-[3-(difluoromethoxy)phenyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 55742350

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)cyclopentane-1-carboxamide (CID 9453348) is 1-(3-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)cyclopentane-1-carboxamide is O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1(c2cccc(F)c2)CCCC1.
What is the InChIKey of 1-(3-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)cyclopentane-1-carboxamide?
The InChIKey is KJHAWMKBYHDTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O3S/c23-18-7-5-6-17(16-18)22(12-1-2-13-22)21(26)24-19-8-10-20(11-9-19)29(27,28)25-14-3-4-15-25/h5-11,16H,1-4,12-15H2,(H,24,26).
What are the key properties of 1-(3-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)cyclopentane-1-carboxamide?
1-(3-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)cyclopentane-1-carboxamide has a molecular weight of 416.52 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 9453348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).