N-[4-(difluoromethoxy)-3-fluorophenyl]-1-methylsulfonylpiperidine-2-carboxamide

C14H17F3N2O4S — CID 87026032

IUPACN-[4-(difluoromethoxy)-3-fluorophenyl]-1-methylsulfonylpiperidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCCC1C(=O)Nc1ccc(OC(F)F)c(F)c1
InChIInChI=1S/C14H17F3N2O4S/c1-24(21,22)19-7-3-2-4-11(19)13(20)18-9-5-6-12(10(15)8-9)23-14(16)17/h5-6,8,11,14H,2-4,7H2,1H3,(H,18,20)
InChIKeyNLLSWMCNFSSOAV-UHFFFAOYSA-N
MW366.36 g/mol
LogP2.18
Rot. Bonds5

About N-[4-(difluoromethoxy)-3-fluorophenyl]-1-methylsulfonylpiperidine-2-carboxamide

N-[4-(difluoromethoxy)-3-fluorophenyl]-1-methylsulfonylpiperidine-2-carboxamide (PubChem CID 87026032) has the molecular formula C14H17F3N2O4S and a molecular weight of 366.36 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)-3-fluorophenyl]-1-methylsulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)-3-fluorophenyl]-1-methylsulfonylpiperidine-2-carboxamide
PubChem CID87026032
Molecular FormulaC14H17F3N2O4S
Molecular Weight366.36 g/mol
Exact Mass366.09
IUPAC NameN-[4-(difluoromethoxy)-3-fluorophenyl]-1-methylsulfonylpiperidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCCC1C(=O)Nc1ccc(OC(F)F)c(F)c1
InChIInChI=1S/C14H17F3N2O4S/c1-24(21,22)19-7-3-2-4-11(19)13(20)18-9-5-6-12(10(15)8-9)23-14(16)17/h5-6,8,11,14H,2-4,7H2,1H3,(H,18,20)
InChIKeyNLLSWMCNFSSOAV-UHFFFAOYSA-N
XLogP2.18
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 55802327
N-(3,4-dipropoxyphenyl)-1-methylsulfonylpiperidine-2-carboxamide
CID 55544635
N-(4-ethoxy-3-fluorophenyl)-1-propylsulfonylpiperidine-2-carboxamide
CID 55916654
N-[4-(difluoromethoxy)-3-fluorophenyl]piperidine-4-carboxamide
CID 60927755
N-(4-fluoro-3-nitrophenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 51240550
N-[4-(difluoromethoxy)-3-fluorophenyl]piperidine-2-carboxamide
CID 60927756
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-methylsulfonylpiperidine-2-carboxamide
CID 24667604
N-(3,4-dipropoxyphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 43033680
(2S,4S)-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120623737
(2S)-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-1-methylsulfonylpiperidine-2-carboxamide
CID 94210182
1-[4-(difluoromethoxy)-3-fluorophenyl]-3-propan-2-ylurea
CID 47261837
(2R)-N-(4-bromo-2-fluorophenyl)-1-methylsulfonylpiperidine-2-carboxamide
CID 31407732

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)-3-fluorophenyl]-1-methylsulfonylpiperidine-2-carboxamide?
The IUPAC name of N-[4-(difluoromethoxy)-3-fluorophenyl]-1-methylsulfonylpiperidine-2-carboxamide (CID 87026032) is N-[4-(difluoromethoxy)-3-fluorophenyl]-1-methylsulfonylpiperidine-2-carboxamide.
What is the SMILES notation for N-[4-(difluoromethoxy)-3-fluorophenyl]-1-methylsulfonylpiperidine-2-carboxamide?
The canonical SMILES for N-[4-(difluoromethoxy)-3-fluorophenyl]-1-methylsulfonylpiperidine-2-carboxamide is CS(=O)(=O)N1CCCCC1C(=O)Nc1ccc(OC(F)F)c(F)c1.
What is the InChIKey of N-[4-(difluoromethoxy)-3-fluorophenyl]-1-methylsulfonylpiperidine-2-carboxamide?
The InChIKey is NLLSWMCNFSSOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O4S/c1-24(21,22)19-7-3-2-4-11(19)13(20)18-9-5-6-12(10(15)8-9)23-14(16)17/h5-6,8,11,14H,2-4,7H2,1H3,(H,18,20).
What are the key properties of N-[4-(difluoromethoxy)-3-fluorophenyl]-1-methylsulfonylpiperidine-2-carboxamide?
N-[4-(difluoromethoxy)-3-fluorophenyl]-1-methylsulfonylpiperidine-2-carboxamide has a molecular weight of 366.36 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)-3-fluorophenyl]-1-methylsulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 87026032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).