1-[1-(2,6-difluorophenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide

C15H19F2N3O3S — CID 121154153

IUPAC1-[1-(2,6-difluorophenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C2CN(S(=O)(=O)c3c(F)cccc3F)C2)CC1
InChIInChI=1S/C15H19F2N3O3S/c16-12-2-1-3-13(17)14(12)24(22,23)20-8-11(9-20)19-6-4-10(5-7-19)15(18)21/h1-3,10-11H,4-9H2,(H2,18,21)
InChIKeyUMTBNFUKDKKWJR-UHFFFAOYSA-N
MW359.40 g/mol
LogP0.54
Rot. Bonds4

About 1-[1-(2,6-difluorophenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide

1-[1-(2,6-difluorophenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide (PubChem CID 121154153) has the molecular formula C15H19F2N3O3S and a molecular weight of 359.40 g/mol. Its IUPAC name is 1-[1-(2,6-difluorophenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(2,6-difluorophenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide
PubChem CID121154153
Molecular FormulaC15H19F2N3O3S
Molecular Weight359.40 g/mol
Exact Mass359.11
IUPAC Name1-[1-(2,6-difluorophenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C2CN(S(=O)(=O)c3c(F)cccc3F)C2)CC1
InChIInChI=1S/C15H19F2N3O3S/c16-12-2-1-3-13(17)14(12)24(22,23)20-8-11(9-20)19-6-4-10(5-7-19)15(18)21/h1-3,10-11H,4-9H2,(H2,18,21)
InChIKeyUMTBNFUKDKKWJR-UHFFFAOYSA-N
XLogP0.54
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(3-chloro-2-methylphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide
CID 121154164
1-[1-[4-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]piperidine-4-carboxamide
CID 121154179
1-[1-(2-cyanophenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide
CID 121154210
1-[1-(4-ethylphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide
CID 121154139
3-fluoro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)sulfonylaniline
CID 63168396
(3S)-1-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol
CID 97415192
1-[1-[4-(2-chlorophenoxy)phenyl]sulfonylazetidin-3-yl]piperidine-4-carboxamide
CID 119099937
1-[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]piperidine-4-carboxamide
CID 121154148
1-(2,6-difluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 33039644
1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-ol
CID 62917651
(3S)-1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993401
1-[1-(dimethylsulfamoyl)azetidin-3-yl]piperidine-4-carboxamide
CID 121154190

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,6-difluorophenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-(2,6-difluorophenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide (CID 121154153) is 1-[1-(2,6-difluorophenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(2,6-difluorophenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(2,6-difluorophenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide is NC(=O)C1CCN(C2CN(S(=O)(=O)c3c(F)cccc3F)C2)CC1.
What is the InChIKey of 1-[1-(2,6-difluorophenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide?
The InChIKey is UMTBNFUKDKKWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O3S/c16-12-2-1-3-13(17)14(12)24(22,23)20-8-11(9-20)19-6-4-10(5-7-19)15(18)21/h1-3,10-11H,4-9H2,(H2,18,21).
What are the key properties of 1-[1-(2,6-difluorophenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide?
1-[1-(2,6-difluorophenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide has a molecular weight of 359.40 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,6-difluorophenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 121154153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).