N-[2-(dimethylsulfamoyl)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide

C20H24FN3O5S2 — CID 55984969

IUPACN-[2-(dimethylsulfamoyl)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
SMILESCN(C)S(=O)(=O)c1ccccc1NC(=O)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C20H24FN3O5S2/c1-23(2)31(28,29)19-8-4-3-7-18(19)22-20(25)15-6-5-13-24(14-15)30(26,27)17-11-9-16(21)10-12-17/h3-4,7-12,15H,5-6,13-14H2,1-2H3,(H,22,25)
InChIKeyYSYCMTJYFVREQL-UHFFFAOYSA-N
MW469.56 g/mol
LogP2.12
Rot. Bonds6

About N-[2-(dimethylsulfamoyl)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide

N-[2-(dimethylsulfamoyl)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 55984969) has the molecular formula C20H24FN3O5S2 and a molecular weight of 469.56 g/mol. Its IUPAC name is N-[2-(dimethylsulfamoyl)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylsulfamoyl)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
PubChem CID55984969
Molecular FormulaC20H24FN3O5S2
Molecular Weight469.56 g/mol
Exact Mass469.11
IUPAC NameN-[2-(dimethylsulfamoyl)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
SMILESCN(C)S(=O)(=O)c1ccccc1NC(=O)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C20H24FN3O5S2/c1-23(2)31(28,29)19-8-4-3-7-18(19)22-20(25)15-6-5-13-24(14-15)30(26,27)17-11-9-16(21)10-12-17/h3-4,7-12,15H,5-6,13-14H2,1-2H3,(H,22,25)
InChIKeyYSYCMTJYFVREQL-UHFFFAOYSA-N
XLogP2.12
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(4-fluorophenyl)sulfonyl-N-(2-methylphenyl)piperidine-3-carboxamide
CID 7371815
1-(4-fluorophenyl)sulfonyl-N-[2-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 133168195
(3R)-N-(2-ethylsulfanylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 100669876
N-[2-(cyclohexylcarbamoyl)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 133168196
(3R)-1-(4-fluorophenyl)sulfonyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
CID 41242824
1-(benzenesulfonyl)-N-(2,5-difluorophenyl)piperidine-3-carboxamide
CID 43872856
N-(1-acetyl-2,3-dihydroindol-4-yl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 167840298
(3R)-1-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperidine-3-carboxamide
CID 40639334
(3S)-N-(2-acetamidophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 30156119
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 133159453
1-(4-fluorophenyl)sulfonyl-N-(4-oxo-1H-pyridin-3-yl)piperidine-3-carboxamide
CID 55644495
(3R)-N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 100670784

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylsulfamoyl)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[2-(dimethylsulfamoyl)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide (CID 55984969) is N-[2-(dimethylsulfamoyl)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylsulfamoyl)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylsulfamoyl)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide is CN(C)S(=O)(=O)c1ccccc1NC(=O)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of N-[2-(dimethylsulfamoyl)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is YSYCMTJYFVREQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O5S2/c1-23(2)31(28,29)19-8-4-3-7-18(19)22-20(25)15-6-5-13-24(14-15)30(26,27)17-11-9-16(21)10-12-17/h3-4,7-12,15H,5-6,13-14H2,1-2H3,(H,22,25).
What are the key properties of N-[2-(dimethylsulfamoyl)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide?
N-[2-(dimethylsulfamoyl)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 469.56 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylsulfamoyl)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 55984969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).