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

C20H23FN2O3S — CID 125061964

IUPAC(3S)-1-(2,5-dimethylphenyl)sulfonyl-N-(2-fluorophenyl)piperidine-3-carboxamide
SMILESCc1ccc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3F)C2)c1
InChIInChI=1S/C20H23FN2O3S/c1-14-9-10-15(2)19(12-14)27(25,26)23-11-5-6-16(13-23)20(24)22-18-8-4-3-7-17(18)21/h3-4,7-10,12,16H,5-6,11,13H2,1-2H3,(H,22,24)/t16-/m0/s1
InChIKeyFUSYMFIFZCWLBA-INIZCTEOSA-N
MW390.48 g/mol
LogP3.48
Rot. Bonds4

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

(3S)-1-(2,5-dimethylphenyl)sulfonyl-N-(2-fluorophenyl)piperidine-3-carboxamide (PubChem CID 125061964) has the molecular formula C20H23FN2O3S and a molecular weight of 390.48 g/mol. Its IUPAC name is (3S)-1-(2,5-dimethylphenyl)sulfonyl-N-(2-fluorophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2,5-dimethylphenyl)sulfonyl-N-(2-fluorophenyl)piperidine-3-carboxamide
PubChem CID125061964
Molecular FormulaC20H23FN2O3S
Molecular Weight390.48 g/mol
Exact Mass390.14
IUPAC Name(3S)-1-(2,5-dimethylphenyl)sulfonyl-N-(2-fluorophenyl)piperidine-3-carboxamide
SMILESCc1ccc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3F)C2)c1
InChIInChI=1S/C20H23FN2O3S/c1-14-9-10-15(2)19(12-14)27(25,26)23-11-5-6-16(13-23)20(24)22-18-8-4-3-7-17(18)21/h3-4,7-10,12,16H,5-6,11,13H2,1-2H3,(H,22,24)/t16-/m0/s1
InChIKeyFUSYMFIFZCWLBA-INIZCTEOSA-N
XLogP3.48
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 133254937
(3R)-N-(4-chloro-2-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 100780070
N-(3,5-dimethylphenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 133254941
N-(3,4-dimethylphenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 133254940
N-(4-acetamidophenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 133254979
N-(2-fluoro-5-methylphenyl)-1-sulfamoylpiperidine-3-carboxamide
CID 131961579
1-(2,5-dichlorophenyl)sulfonyl-N-(2-fluorophenyl)piperidine-3-carboxamide
CID 2992639
(3R)-1-(2,5-dimethylphenyl)sulfonyl-N-propan-2-ylpiperidine-3-carboxamide
CID 100779917
N-(4-bromophenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 133254953
1-(2,5-dimethylphenyl)sulfonyl-N-(4-iodophenyl)piperidine-3-carboxamide
CID 133254954
(3S)-1-(2,5-dimethylphenyl)sulfonyl-N-ethylpiperidine-3-carboxamide
CID 94764138
(3R)-N-(2-fluorophenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 41302559

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2,5-dimethylphenyl)sulfonyl-N-(2-fluorophenyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(2,5-dimethylphenyl)sulfonyl-N-(2-fluorophenyl)piperidine-3-carboxamide (CID 125061964) is (3S)-1-(2,5-dimethylphenyl)sulfonyl-N-(2-fluorophenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2,5-dimethylphenyl)sulfonyl-N-(2-fluorophenyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2,5-dimethylphenyl)sulfonyl-N-(2-fluorophenyl)piperidine-3-carboxamide is Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3F)C2)c1.
What is the InChIKey of (3S)-1-(2,5-dimethylphenyl)sulfonyl-N-(2-fluorophenyl)piperidine-3-carboxamide?
The InChIKey is FUSYMFIFZCWLBA-INIZCTEOSA-N. The full InChI is InChI=1S/C20H23FN2O3S/c1-14-9-10-15(2)19(12-14)27(25,26)23-11-5-6-16(13-23)20(24)22-18-8-4-3-7-17(18)21/h3-4,7-10,12,16H,5-6,11,13H2,1-2H3,(H,22,24)/t16-/m0/s1.
What are the key properties of (3S)-1-(2,5-dimethylphenyl)sulfonyl-N-(2-fluorophenyl)piperidine-3-carboxamide?
(3S)-1-(2,5-dimethylphenyl)sulfonyl-N-(2-fluorophenyl)piperidine-3-carboxamide has a molecular weight of 390.48 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2,5-dimethylphenyl)sulfonyl-N-(2-fluorophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 125061964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).