3-(4-fluorophenyl)sulfonyl-N-(2-methoxyphenyl)azetidine-1-carboxamide

C17H17FN2O4S — CID 90593173

IUPAC3-(4-fluorophenyl)sulfonyl-N-(2-methoxyphenyl)azetidine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CC(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C17H17FN2O4S/c1-24-16-5-3-2-4-15(16)19-17(21)20-10-14(11-20)25(22,23)13-8-6-12(18)7-9-13/h2-9,14H,10-11H2,1H3,(H,19,21)
InChIKeyIODZVBYPGGGKGU-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.52
Rot. Bonds4

About 3-(4-fluorophenyl)sulfonyl-N-(2-methoxyphenyl)azetidine-1-carboxamide

3-(4-fluorophenyl)sulfonyl-N-(2-methoxyphenyl)azetidine-1-carboxamide (PubChem CID 90593173) has the molecular formula C17H17FN2O4S and a molecular weight of 364.40 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfonyl-N-(2-methoxyphenyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfonyl-N-(2-methoxyphenyl)azetidine-1-carboxamide
PubChem CID90593173
Molecular FormulaC17H17FN2O4S
Molecular Weight364.40 g/mol
Exact Mass364.09
IUPAC Name3-(4-fluorophenyl)sulfonyl-N-(2-methoxyphenyl)azetidine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CC(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C17H17FN2O4S/c1-24-16-5-3-2-4-15(16)19-17(21)20-10-14(11-20)25(22,23)13-8-6-12(18)7-9-13/h2-9,14H,10-11H2,1H3,(H,19,21)
InChIKeyIODZVBYPGGGKGU-UHFFFAOYSA-N
XLogP2.52
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylazetidine-1-carboxamide
CID 90593176
3-(4-chlorophenyl)sulfonyl-N-(2,4-dimethoxyphenyl)azetidine-1-carboxamide
CID 90595136
1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone
CID 71809175
(E)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 90593119
2-[1-[(4-fluoro-2-methoxyphenyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64617654
N-(2-methoxyphenyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine-6-carboxamide
CID 102680601
(3S)-3-N-[(4-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 51687287
(2S)-1-(4-fluorophenyl)sulfonyl-N-(2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 93072370
(3R)-3-(benzenesulfonyl)-N-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 129373851
(3S)-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 7372009
methyl 4-[(2-methoxyphenyl)carbamoyl]morpholine-2-carboxylate
CID 78927066
(2R)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 8512506

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfonyl-N-(2-methoxyphenyl)azetidine-1-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)sulfonyl-N-(2-methoxyphenyl)azetidine-1-carboxamide (CID 90593173) is 3-(4-fluorophenyl)sulfonyl-N-(2-methoxyphenyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)sulfonyl-N-(2-methoxyphenyl)azetidine-1-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)sulfonyl-N-(2-methoxyphenyl)azetidine-1-carboxamide is COc1ccccc1NC(=O)N1CC(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 3-(4-fluorophenyl)sulfonyl-N-(2-methoxyphenyl)azetidine-1-carboxamide?
The InChIKey is IODZVBYPGGGKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O4S/c1-24-16-5-3-2-4-15(16)19-17(21)20-10-14(11-20)25(22,23)13-8-6-12(18)7-9-13/h2-9,14H,10-11H2,1H3,(H,19,21).
What are the key properties of 3-(4-fluorophenyl)sulfonyl-N-(2-methoxyphenyl)azetidine-1-carboxamide?
3-(4-fluorophenyl)sulfonyl-N-(2-methoxyphenyl)azetidine-1-carboxamide has a molecular weight of 364.40 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfonyl-N-(2-methoxyphenyl)azetidine-1-carboxamide is sourced from PubChem (CID 90593173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).