1-(4-fluorophenyl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide

C22H26FN3O3S — CID 24983180

IUPAC1-(4-fluorophenyl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCCC1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H26FN3O3S/c23-18-7-9-19(10-8-18)30(28,29)26-15-11-17(12-16-26)22(27)24-20-5-1-2-6-21(20)25-13-3-4-14-25/h1-2,5-10,17H,3-4,11-16H2,(H,24,27)
InChIKeyZZSHMXOHKBOXIN-UHFFFAOYSA-N
MW431.53 g/mol
LogP3.47
Rot. Bonds5

About 1-(4-fluorophenyl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide

1-(4-fluorophenyl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide (PubChem CID 24983180) has the molecular formula C22H26FN3O3S and a molecular weight of 431.53 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
PubChem CID24983180
Molecular FormulaC22H26FN3O3S
Molecular Weight431.53 g/mol
Exact Mass431.17
IUPAC Name1-(4-fluorophenyl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCCC1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H26FN3O3S/c23-18-7-9-19(10-8-18)30(28,29)26-15-11-17(12-16-26)22(27)24-20-5-1-2-6-21(20)25-13-3-4-14-25/h1-2,5-10,17H,3-4,11-16H2,(H,24,27)
InChIKeyZZSHMXOHKBOXIN-UHFFFAOYSA-N
XLogP3.47
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.53
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 17080567
N-(2,4-difluorophenyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide
CID 2112121
(2S)-2-(benzenesulfonamido)-3-methyl-N-(2-morpholin-4-ylphenyl)butanamide
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CID 2354529
4-fluoro-N-[2-(1-piperidinyl)phenyl]benzenesulfonamide
CID 2814221
5-[(3-fluorophenyl)sulfonyl]-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
CID 2814937
2-(3-Methyl-piperidin-1-yl)-N-[4-(pyrrolidine-1-sulfonyl)-phenyl]-acetamide
CID 3178246
4-{4-[(4-Phenylpiperazin-1-yl)sulfonyl]phenyl}pyrrolidin-2-one
CID 2974169
N-(2,4-difluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 4824613
1-[4-(2-ketopyrrolidino)phenyl]sulfonyl-N-[4-(trifluoromethyl)phenyl]isonipecotamide
CID 17585068
N-benzyl-1-((4-(2-oxopyrrolidin-1-yl)phenyl)sulfonyl)piperidine-4-carboxamide
CID 17585685

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide (CID 24983180) is 1-(4-fluorophenyl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide is O=C(Nc1ccccc1N1CCCC1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide?
The InChIKey is ZZSHMXOHKBOXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O3S/c23-18-7-9-19(10-8-18)30(28,29)26-15-11-17(12-16-26)22(27)24-20-5-1-2-6-21(20)25-13-3-4-14-25/h1-2,5-10,17H,3-4,11-16H2,(H,24,27).
What are the key properties of 1-(4-fluorophenyl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide?
1-(4-fluorophenyl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide has a molecular weight of 431.53 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 24983180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).