N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-methylsulfonylpiperidine-2-carboxamide

C14H16F2N2O5S — CID 24667604

IUPACN-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-methylsulfonylpiperidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCCC1C(=O)Nc1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C14H16F2N2O5S/c1-24(20,21)18-7-3-2-4-10(18)13(19)17-9-5-6-11-12(8-9)23-14(15,16)22-11/h5-6,8,10H,2-4,7H2,1H3,(H,17,19)
InChIKeyIISPVZIMQSZFOL-UHFFFAOYSA-N
MW362.35 g/mol
LogP1.76
Rot. Bonds3

About N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-methylsulfonylpiperidine-2-carboxamide

N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-methylsulfonylpiperidine-2-carboxamide (PubChem CID 24667604) has the molecular formula C14H16F2N2O5S and a molecular weight of 362.35 g/mol. Its IUPAC name is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-methylsulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-methylsulfonylpiperidine-2-carboxamide
PubChem CID24667604
Molecular FormulaC14H16F2N2O5S
Molecular Weight362.35 g/mol
Exact Mass362.07
IUPAC NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-methylsulfonylpiperidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCCC1C(=O)Nc1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C14H16F2N2O5S/c1-24(20,21)18-7-3-2-4-10(18)13(19)17-9-5-6-11-12(8-9)23-14(15,16)22-11/h5-6,8,10H,2-4,7H2,1H3,(H,17,19)
InChIKeyIISPVZIMQSZFOL-UHFFFAOYSA-N
XLogP1.76
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-1-methylsulfonylpiperidine-2-carboxamide
CID 94210182
N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 55802327
N-[4-(difluoromethoxy)-3-fluorophenyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 87026032
benzyl (2S)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]pyrrolidine-1-carboxylate
CID 58763318
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 24532822
N-(3,4-dipropoxyphenyl)-1-methylsulfonylpiperidine-2-carboxamide
CID 55544635
(2R)-N-(4-acetylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 27444312
N-(4-fluoro-3-nitrophenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 51240550
N-[4-(diethylamino)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 51240484
(2S)-N-(3,5-dimethylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 40853891
(2S)-N-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 8700873
N-[4-(2-amino-2-oxoethoxy)phenyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 55564355

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-methylsulfonylpiperidine-2-carboxamide?
The IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-methylsulfonylpiperidine-2-carboxamide (CID 24667604) is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-methylsulfonylpiperidine-2-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-methylsulfonylpiperidine-2-carboxamide?
The canonical SMILES for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-methylsulfonylpiperidine-2-carboxamide is CS(=O)(=O)N1CCCCC1C(=O)Nc1ccc2c(c1)OC(F)(F)O2.
What is the InChIKey of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-methylsulfonylpiperidine-2-carboxamide?
The InChIKey is IISPVZIMQSZFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O5S/c1-24(20,21)18-7-3-2-4-10(18)13(19)17-9-5-6-11-12(8-9)23-14(15,16)22-11/h5-6,8,10H,2-4,7H2,1H3,(H,17,19).
What are the key properties of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-methylsulfonylpiperidine-2-carboxamide?
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-methylsulfonylpiperidine-2-carboxamide has a molecular weight of 362.35 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-methylsulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 24667604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).