1-cyclopropylsulfonyl-N-[3-(difluoromethoxy)phenyl]azetidine-3-carboxamide

C14H16F2N2O4S — CID 71785615

IUPAC1-cyclopropylsulfonyl-N-[3-(difluoromethoxy)phenyl]azetidine-3-carboxamide
SMILESO=C(Nc1cccc(OC(F)F)c1)C1CN(S(=O)(=O)C2CC2)C1
InChIInChI=1S/C14H16F2N2O4S/c15-14(16)22-11-3-1-2-10(6-11)17-13(19)9-7-18(8-9)23(20,21)12-4-5-12/h1-3,6,9,12,14H,4-5,7-8H2,(H,17,19)
InChIKeyHXNFOYIUXMRSEE-UHFFFAOYSA-N
MW346.36 g/mol
LogP1.65
Rot. Bonds6

About 1-cyclopropylsulfonyl-N-[3-(difluoromethoxy)phenyl]azetidine-3-carboxamide

1-cyclopropylsulfonyl-N-[3-(difluoromethoxy)phenyl]azetidine-3-carboxamide (PubChem CID 71785615) has the molecular formula C14H16F2N2O4S and a molecular weight of 346.36 g/mol. Its IUPAC name is 1-cyclopropylsulfonyl-N-[3-(difluoromethoxy)phenyl]azetidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropylsulfonyl-N-[3-(difluoromethoxy)phenyl]azetidine-3-carboxamide
PubChem CID71785615
Molecular FormulaC14H16F2N2O4S
Molecular Weight346.36 g/mol
Exact Mass346.08
IUPAC Name1-cyclopropylsulfonyl-N-[3-(difluoromethoxy)phenyl]azetidine-3-carboxamide
SMILESO=C(Nc1cccc(OC(F)F)c1)C1CN(S(=O)(=O)C2CC2)C1
InChIInChI=1S/C14H16F2N2O4S/c15-14(16)22-11-3-1-2-10(6-11)17-13(19)9-7-18(8-9)23(20,21)12-4-5-12/h1-3,6,9,12,14H,4-5,7-8H2,(H,17,19)
InChIKeyHXNFOYIUXMRSEE-UHFFFAOYSA-N
XLogP1.65
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3-(difluoromethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103550191
N-[3-(difluoromethoxy)phenyl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55779087
3-amino-N-[3-(difluoromethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119707736
1-cyclopropylsulfonyl-N-(3,4-dimethylphenyl)azetidine-3-carboxamide
CID 90513450
N-[3-(difluoromethoxy)phenyl]-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511249
N-[3-(difluoromethoxy)phenyl]-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 90567994
(2S,4S)-N-[3-(difluoromethoxy)phenyl]-2-methylpiperidine-4-carboxamide
CID 120620400
N-(4-acetamidophenyl)-1-cyclopropylsulfonylazetidine-3-carboxamide
CID 90513573
(3R)-1-methylsulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 95119279
N-[3-(difluoromethoxy)phenyl]-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide
CID 71785377
(3S)-1-ethylsulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 95118412
N-[3-(difluoromethoxy)phenyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121119033

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonyl-N-[3-(difluoromethoxy)phenyl]azetidine-3-carboxamide?
The IUPAC name of 1-cyclopropylsulfonyl-N-[3-(difluoromethoxy)phenyl]azetidine-3-carboxamide (CID 71785615) is 1-cyclopropylsulfonyl-N-[3-(difluoromethoxy)phenyl]azetidine-3-carboxamide.
What is the SMILES notation for 1-cyclopropylsulfonyl-N-[3-(difluoromethoxy)phenyl]azetidine-3-carboxamide?
The canonical SMILES for 1-cyclopropylsulfonyl-N-[3-(difluoromethoxy)phenyl]azetidine-3-carboxamide is O=C(Nc1cccc(OC(F)F)c1)C1CN(S(=O)(=O)C2CC2)C1.
What is the InChIKey of 1-cyclopropylsulfonyl-N-[3-(difluoromethoxy)phenyl]azetidine-3-carboxamide?
The InChIKey is HXNFOYIUXMRSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O4S/c15-14(16)22-11-3-1-2-10(6-11)17-13(19)9-7-18(8-9)23(20,21)12-4-5-12/h1-3,6,9,12,14H,4-5,7-8H2,(H,17,19).
What are the key properties of 1-cyclopropylsulfonyl-N-[3-(difluoromethoxy)phenyl]azetidine-3-carboxamide?
1-cyclopropylsulfonyl-N-[3-(difluoromethoxy)phenyl]azetidine-3-carboxamide has a molecular weight of 346.36 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonyl-N-[3-(difluoromethoxy)phenyl]azetidine-3-carboxamide is sourced from PubChem (CID 71785615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).