1-(2,5-dichlorophenyl)sulfonyl-N-(2-fluorophenyl)piperidine-3-carboxamide

C18H17Cl2FN2O3S — CID 2992639

IUPAC1-(2,5-dichlorophenyl)sulfonyl-N-(2-fluorophenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1F)C1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C18H17Cl2FN2O3S/c19-13-7-8-14(20)17(10-13)27(25,26)23-9-3-4-12(11-23)18(24)22-16-6-2-1-5-15(16)21/h1-2,5-8,10,12H,3-4,9,11H2,(H,22,24)
InChIKeyANGXUHUCBPZCHE-UHFFFAOYSA-N
MW431.32 g/mol
LogP4.17
Rot. Bonds4

About 1-(2,5-dichlorophenyl)sulfonyl-N-(2-fluorophenyl)piperidine-3-carboxamide

1-(2,5-dichlorophenyl)sulfonyl-N-(2-fluorophenyl)piperidine-3-carboxamide (PubChem CID 2992639) has the molecular formula C18H17Cl2FN2O3S and a molecular weight of 431.32 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)sulfonyl-N-(2-fluorophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)sulfonyl-N-(2-fluorophenyl)piperidine-3-carboxamide
PubChem CID2992639
Molecular FormulaC18H17Cl2FN2O3S
Molecular Weight431.32 g/mol
Exact Mass430.03
IUPAC Name1-(2,5-dichlorophenyl)sulfonyl-N-(2-fluorophenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1F)C1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C18H17Cl2FN2O3S/c19-13-7-8-14(20)17(10-13)27(25,26)23-9-3-4-12(11-23)18(24)22-16-6-2-1-5-15(16)21/h1-2,5-8,10,12H,3-4,9,11H2,(H,22,24)
InChIKeyANGXUHUCBPZCHE-UHFFFAOYSA-N
XLogP4.17
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.32
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(4-acetamidophenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxamide
CID 126398447
(3S)-1-(2,5-dimethylphenyl)sulfonyl-N-(2-fluorophenyl)piperidine-3-carboxamide
CID 125061964
1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxylic acid
CID 2971952
(3R)-N-tert-butyl-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxamide
CID 126396308
(3R)-N-(3-chloro-4-methylphenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxamide
CID 126396495
N-(3-acetylphenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxamide
CID 2981126
(3S)-1-(2,5-dichlorophenyl)sulfonyl-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 126395837
N-(2,5-dichlorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 4018187
(3S)-1-(2,5-dichlorophenyl)sulfonyl-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 126397151
(3R)-1-(5-chloro-2-methoxyphenyl)sulfonyl-N-(2,5-difluorophenyl)piperidine-3-carboxamide
CID 28550561
1-(2,5-dichlorophenyl)sulfonyl-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide
CID 26358144
N-(2-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 20958662

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-N-(2-fluorophenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-N-(2-fluorophenyl)piperidine-3-carboxamide (CID 2992639) is 1-(2,5-dichlorophenyl)sulfonyl-N-(2-fluorophenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2,5-dichlorophenyl)sulfonyl-N-(2-fluorophenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2,5-dichlorophenyl)sulfonyl-N-(2-fluorophenyl)piperidine-3-carboxamide is O=C(Nc1ccccc1F)C1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1.
What is the InChIKey of 1-(2,5-dichlorophenyl)sulfonyl-N-(2-fluorophenyl)piperidine-3-carboxamide?
The InChIKey is ANGXUHUCBPZCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2FN2O3S/c19-13-7-8-14(20)17(10-13)27(25,26)23-9-3-4-12(11-23)18(24)22-16-6-2-1-5-15(16)21/h1-2,5-8,10,12H,3-4,9,11H2,(H,22,24).
What are the key properties of 1-(2,5-dichlorophenyl)sulfonyl-N-(2-fluorophenyl)piperidine-3-carboxamide?
1-(2,5-dichlorophenyl)sulfonyl-N-(2-fluorophenyl)piperidine-3-carboxamide has a molecular weight of 431.32 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)sulfonyl-N-(2-fluorophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 2992639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).