N-(2,3-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylazetidine-1-carboxamide

C18H19FN2O5S — CID 90593176

IUPACN-(2,3-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylazetidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CC(S(=O)(=O)c3ccc(F)cc3)C2)c1OC
InChIInChI=1S/C18H19FN2O5S/c1-25-16-5-3-4-15(17(16)26-2)20-18(22)21-10-14(11-21)27(23,24)13-8-6-12(19)7-9-13/h3-9,14H,10-11H2,1-2H3,(H,20,22)
InChIKeyLIBBFXOQDWTKCY-UHFFFAOYSA-N
MW394.42 g/mol
LogP2.53
Rot. Bonds5

About N-(2,3-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylazetidine-1-carboxamide

N-(2,3-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylazetidine-1-carboxamide (PubChem CID 90593176) has the molecular formula C18H19FN2O5S and a molecular weight of 394.42 g/mol. Its IUPAC name is N-(2,3-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylazetidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylazetidine-1-carboxamide
PubChem CID90593176
Molecular FormulaC18H19FN2O5S
Molecular Weight394.42 g/mol
Exact Mass394.10
IUPAC NameN-(2,3-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylazetidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CC(S(=O)(=O)c3ccc(F)cc3)C2)c1OC
InChIInChI=1S/C18H19FN2O5S/c1-25-16-5-3-4-15(17(16)26-2)20-18(22)21-10-14(11-21)27(23,24)13-8-6-12(19)7-9-13/h3-9,14H,10-11H2,1-2H3,(H,20,22)
InChIKeyLIBBFXOQDWTKCY-UHFFFAOYSA-N
XLogP2.53
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-fluorophenyl)sulfonyl-N-(2-methoxyphenyl)azetidine-1-carboxamide
CID 90593173
(E)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 90593119
3-(4-chlorophenyl)sulfonyl-N-(2,4-dimethoxyphenyl)azetidine-1-carboxamide
CID 90595136
N-(2,3-dimethoxyphenyl)-4-fluorobenzenesulfonamide
CID 3576205
1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone
CID 71809175
N-(2,3-dimethoxyphenyl)-3-[(6-methyl-2-pyridinyl)oxy]azetidine-1-carboxamide
CID 122249694
(3S)-3-(benzenesulfonyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 97354940
2-(benzenesulfonylmethyl)-N-(2,3-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 90585805
N-(2,3-dimethoxyphenyl)-4-(triazol-2-yl)piperidine-1-carboxamide
CID 121165128
(3R)-3-(benzenesulfonyl)-N-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 129373851
2-[1-[(4-fluoro-2-methoxyphenyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64617654
N-[2-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-2-oxoethyl]-3-methylbenzenesulfonamide
CID 90592982

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylazetidine-1-carboxamide?
The IUPAC name of N-(2,3-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylazetidine-1-carboxamide (CID 90593176) is N-(2,3-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylazetidine-1-carboxamide.
What is the SMILES notation for N-(2,3-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylazetidine-1-carboxamide?
The canonical SMILES for N-(2,3-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylazetidine-1-carboxamide is COc1cccc(NC(=O)N2CC(S(=O)(=O)c3ccc(F)cc3)C2)c1OC.
What is the InChIKey of N-(2,3-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylazetidine-1-carboxamide?
The InChIKey is LIBBFXOQDWTKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O5S/c1-25-16-5-3-4-15(17(16)26-2)20-18(22)21-10-14(11-21)27(23,24)13-8-6-12(19)7-9-13/h3-9,14H,10-11H2,1-2H3,(H,20,22).
What are the key properties of N-(2,3-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylazetidine-1-carboxamide?
N-(2,3-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylazetidine-1-carboxamide has a molecular weight of 394.42 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylazetidine-1-carboxamide is sourced from PubChem (CID 90593176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).