(2S)-N-cyclohexyl-1-(2-fluorophenyl)sulfonyl-2,5-dihydropyrrole-2-carboxamide

C17H21FN2O3S — CID 46952323

IUPAC(2S)-N-cyclohexyl-1-(2-fluorophenyl)sulfonyl-2,5-dihydropyrrole-2-carboxamide
SMILESO=C(NC1CCCCC1)[C@@H]1C=CCN1S(=O)(=O)c1ccccc1F
InChIInChI=1S/C17H21FN2O3S/c18-14-9-4-5-11-16(14)24(22,23)20-12-6-10-15(20)17(21)19-13-7-2-1-3-8-13/h4-6,9-11,13,15H,1-3,7-8,12H2,(H,19,21)/t15-/m0/s1
InChIKeyBHQJIRDCBZCCEK-HNNXBMFYSA-N
MW352.43 g/mol
LogP2.20
Rot. Bonds4

About (2S)-N-cyclohexyl-1-(2-fluorophenyl)sulfonyl-2,5-dihydropyrrole-2-carboxamide

(2S)-N-cyclohexyl-1-(2-fluorophenyl)sulfonyl-2,5-dihydropyrrole-2-carboxamide (PubChem CID 46952323) has the molecular formula C17H21FN2O3S and a molecular weight of 352.43 g/mol. Its IUPAC name is (2S)-N-cyclohexyl-1-(2-fluorophenyl)sulfonyl-2,5-dihydropyrrole-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-cyclohexyl-1-(2-fluorophenyl)sulfonyl-2,5-dihydropyrrole-2-carboxamide
PubChem CID46952323
Molecular FormulaC17H21FN2O3S
Molecular Weight352.43 g/mol
Exact Mass352.13
IUPAC Name(2S)-N-cyclohexyl-1-(2-fluorophenyl)sulfonyl-2,5-dihydropyrrole-2-carboxamide
SMILESO=C(NC1CCCCC1)[C@@H]1C=CCN1S(=O)(=O)c1ccccc1F
InChIInChI=1S/C17H21FN2O3S/c18-14-9-4-5-11-16(14)24(22,23)20-12-6-10-15(20)17(21)19-13-7-2-1-3-8-13/h4-6,9-11,13,15H,1-3,7-8,12H2,(H,19,21)/t15-/m0/s1
InChIKeyBHQJIRDCBZCCEK-HNNXBMFYSA-N
XLogP2.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-(4-acetamidophenyl)sulfonyl-N-cyclohexyl-2,5-dihydropyrrole-2-carboxamide
CID 16672296
(2R)-N-cyclopentyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
CID 8512706
(2R)-N-cyclopropyl-1-methylsulfonyl-2,5-dihydropyrrole-2-carboxamide
CID 73440574
(2S)-N-cyclohexyl-2-(2-fluorophenyl)sulfonylpropanamide
CID 94151255
2-cyclohexyl-1-(2-fluorophenyl)sulfonylpyrrolidine
CID 61045786
1-(2-phenylphenyl)sulfonyl-2,5-dihydropyrrole-2-carboxylic acid
CID 167772630
N-(cyclopentylcarbamoyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 8749172
(2S)-N-cyclopropyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
CID 8553928
1-(2-fluorophenyl)sulfonyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 78989322
1-(2-fluorophenyl)sulfonyl-N-(2-hydroxyphenyl)pyrrolidine-2-carboxamide
CID 24644538
1-[1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-2-one
CID 79545883
1-(2-fluorophenyl)sulfonyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide
CID 119450805

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclohexyl-1-(2-fluorophenyl)sulfonyl-2,5-dihydropyrrole-2-carboxamide?
The IUPAC name of (2S)-N-cyclohexyl-1-(2-fluorophenyl)sulfonyl-2,5-dihydropyrrole-2-carboxamide (CID 46952323) is (2S)-N-cyclohexyl-1-(2-fluorophenyl)sulfonyl-2,5-dihydropyrrole-2-carboxamide.
What is the SMILES notation for (2S)-N-cyclohexyl-1-(2-fluorophenyl)sulfonyl-2,5-dihydropyrrole-2-carboxamide?
The canonical SMILES for (2S)-N-cyclohexyl-1-(2-fluorophenyl)sulfonyl-2,5-dihydropyrrole-2-carboxamide is O=C(NC1CCCCC1)[C@@H]1C=CCN1S(=O)(=O)c1ccccc1F.
What is the InChIKey of (2S)-N-cyclohexyl-1-(2-fluorophenyl)sulfonyl-2,5-dihydropyrrole-2-carboxamide?
The InChIKey is BHQJIRDCBZCCEK-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21FN2O3S/c18-14-9-4-5-11-16(14)24(22,23)20-12-6-10-15(20)17(21)19-13-7-2-1-3-8-13/h4-6,9-11,13,15H,1-3,7-8,12H2,(H,19,21)/t15-/m0/s1.
What are the key properties of (2S)-N-cyclohexyl-1-(2-fluorophenyl)sulfonyl-2,5-dihydropyrrole-2-carboxamide?
(2S)-N-cyclohexyl-1-(2-fluorophenyl)sulfonyl-2,5-dihydropyrrole-2-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclohexyl-1-(2-fluorophenyl)sulfonyl-2,5-dihydropyrrole-2-carboxamide is sourced from PubChem (CID 46952323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).