3-(4-chlorophenyl)sulfonyl-N-(2,4-dimethoxyphenyl)azetidine-1-carboxamide

C18H19ClN2O5S — CID 90595136

IUPAC3-(4-chlorophenyl)sulfonyl-N-(2,4-dimethoxyphenyl)azetidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CC(S(=O)(=O)c3ccc(Cl)cc3)C2)c(OC)c1
InChIInChI=1S/C18H19ClN2O5S/c1-25-13-5-8-16(17(9-13)26-2)20-18(22)21-10-15(11-21)27(23,24)14-6-3-12(19)4-7-14/h3-9,15H,10-11H2,1-2H3,(H,20,22)
InChIKeyWIIFUWHEWYXBMZ-UHFFFAOYSA-N
MW410.88 g/mol
LogP3.05
Rot. Bonds5

About 3-(4-chlorophenyl)sulfonyl-N-(2,4-dimethoxyphenyl)azetidine-1-carboxamide

3-(4-chlorophenyl)sulfonyl-N-(2,4-dimethoxyphenyl)azetidine-1-carboxamide (PubChem CID 90595136) has the molecular formula C18H19ClN2O5S and a molecular weight of 410.88 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-N-(2,4-dimethoxyphenyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-N-(2,4-dimethoxyphenyl)azetidine-1-carboxamide
PubChem CID90595136
Molecular FormulaC18H19ClN2O5S
Molecular Weight410.88 g/mol
Exact Mass410.07
IUPAC Name3-(4-chlorophenyl)sulfonyl-N-(2,4-dimethoxyphenyl)azetidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CC(S(=O)(=O)c3ccc(Cl)cc3)C2)c(OC)c1
InChIInChI=1S/C18H19ClN2O5S/c1-25-13-5-8-16(17(9-13)26-2)20-18(22)21-10-15(11-21)27(23,24)14-6-3-12(19)4-7-14/h3-9,15H,10-11H2,1-2H3,(H,20,22)
InChIKeyWIIFUWHEWYXBMZ-UHFFFAOYSA-N
XLogP3.05
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.88
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)sulfonylazetidine-1-carboxamide
CID 90593590
3-(4-fluorophenyl)sulfonyl-N-(2-methoxyphenyl)azetidine-1-carboxamide
CID 90593173
1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-3-(2,4,6-trimethoxyphenyl)propan-1-one
CID 90594958
N-(2,3-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylazetidine-1-carboxamide
CID 90593176
N-(2,4-dimethoxyphenyl)-3-(2-methylpropylsulfonyl)piperidine-1-carboxamide
CID 126850554
(3S)-N-(2,4-dimethoxyphenyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide
CID 125130524
(E)-3-(4-chlorophenyl)-1-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]prop-2-en-1-one
CID 90593471
N-[2-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-2-oxoethyl]-3-methoxybenzamide
CID 90594984
3-(4-chlorophenyl)sulfonyl-1-(4-methoxyphenyl)sulfonylazetidine
CID 90595223
N-(2,4-dimethoxyphenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide
CID 23987261
(2-bromo-5-methoxyphenyl)-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]methanone
CID 90587636
3-[(3-chloro-2-pyridinyl)oxy]-N-(2,4-dimethoxyphenyl)azetidine-1-carboxamide
CID 122248095

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-(2,4-dimethoxyphenyl)azetidine-1-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-(2,4-dimethoxyphenyl)azetidine-1-carboxamide (CID 90595136) is 3-(4-chlorophenyl)sulfonyl-N-(2,4-dimethoxyphenyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-N-(2,4-dimethoxyphenyl)azetidine-1-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-N-(2,4-dimethoxyphenyl)azetidine-1-carboxamide is COc1ccc(NC(=O)N2CC(S(=O)(=O)c3ccc(Cl)cc3)C2)c(OC)c1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-N-(2,4-dimethoxyphenyl)azetidine-1-carboxamide?
The InChIKey is WIIFUWHEWYXBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O5S/c1-25-13-5-8-16(17(9-13)26-2)20-18(22)21-10-15(11-21)27(23,24)14-6-3-12(19)4-7-14/h3-9,15H,10-11H2,1-2H3,(H,20,22).
What are the key properties of 3-(4-chlorophenyl)sulfonyl-N-(2,4-dimethoxyphenyl)azetidine-1-carboxamide?
3-(4-chlorophenyl)sulfonyl-N-(2,4-dimethoxyphenyl)azetidine-1-carboxamide has a molecular weight of 410.88 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-N-(2,4-dimethoxyphenyl)azetidine-1-carboxamide is sourced from PubChem (CID 90595136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).