1-[1-[4-(2-chlorophenoxy)phenyl]sulfonylazetidin-3-yl]piperidine-4-carboxamide

C21H24ClN3O4S — CID 119099937

IUPAC1-[1-[4-(2-chlorophenoxy)phenyl]sulfonylazetidin-3-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C2CN(S(=O)(=O)c3ccc(Oc4ccccc4Cl)cc3)C2)CC1
InChIInChI=1S/C21H24ClN3O4S/c22-19-3-1-2-4-20(19)29-17-5-7-18(8-6-17)30(27,28)25-13-16(14-25)24-11-9-15(10-12-24)21(23)26/h1-8,15-16H,9-14H2,(H2,23,26)
InChIKeyGQACHLJRZDSUHL-UHFFFAOYSA-N
MW449.96 g/mol
LogP2.70
Rot. Bonds6

About 1-[1-[4-(2-chlorophenoxy)phenyl]sulfonylazetidin-3-yl]piperidine-4-carboxamide

1-[1-[4-(2-chlorophenoxy)phenyl]sulfonylazetidin-3-yl]piperidine-4-carboxamide (PubChem CID 119099937) has the molecular formula C21H24ClN3O4S and a molecular weight of 449.96 g/mol. Its IUPAC name is 1-[1-[4-(2-chlorophenoxy)phenyl]sulfonylazetidin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[4-(2-chlorophenoxy)phenyl]sulfonylazetidin-3-yl]piperidine-4-carboxamide
PubChem CID119099937
Molecular FormulaC21H24ClN3O4S
Molecular Weight449.96 g/mol
Exact Mass449.12
IUPAC Name1-[1-[4-(2-chlorophenoxy)phenyl]sulfonylazetidin-3-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C2CN(S(=O)(=O)c3ccc(Oc4ccccc4Cl)cc3)C2)CC1
InChIInChI=1S/C21H24ClN3O4S/c22-19-3-1-2-4-20(19)29-17-5-7-18(8-6-17)30(27,28)25-13-16(14-25)24-11-9-15(10-12-24)21(23)26/h1-8,15-16H,9-14H2,(H2,23,26)
InChIKeyGQACHLJRZDSUHL-UHFFFAOYSA-N
XLogP2.70
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.96
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(4-ethylphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide
CID 121154139
1-[1-[4-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]piperidine-4-carboxamide
CID 121154179
1-[1-(3-chloro-2-methylphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide
CID 121154164
1-[1-[4-(2-chlorophenoxy)phenyl]sulfonylazetidin-3-yl]triazole
CID 121154969
4-[4-(2-chlorophenoxy)phenyl]sulfonylmorpholine
CID 2940068
1-[1-(2,6-difluorophenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide
CID 121154153
2-[1-[1-[4-(2-chlorophenoxy)phenyl]sulfonylpiperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole
CID 90618031
1-[1-(2-cyanophenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide
CID 121154210
1-(4-sulfamoylphenyl)sulfonylpiperidine-4-carboxamide
CID 3137783
8-[4-(2-chlorophenoxy)phenyl]sulfonyl-3-methylsulfanyl-8-azabicyclo[3.2.1]octane
CID 90616222
1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 31534108
methyl 1-[1-(3-carbamoyl-4-methoxyphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxylate
CID 146024645

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(2-chlorophenoxy)phenyl]sulfonylazetidin-3-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-[4-(2-chlorophenoxy)phenyl]sulfonylazetidin-3-yl]piperidine-4-carboxamide (CID 119099937) is 1-[1-[4-(2-chlorophenoxy)phenyl]sulfonylazetidin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[4-(2-chlorophenoxy)phenyl]sulfonylazetidin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[4-(2-chlorophenoxy)phenyl]sulfonylazetidin-3-yl]piperidine-4-carboxamide is NC(=O)C1CCN(C2CN(S(=O)(=O)c3ccc(Oc4ccccc4Cl)cc3)C2)CC1.
What is the InChIKey of 1-[1-[4-(2-chlorophenoxy)phenyl]sulfonylazetidin-3-yl]piperidine-4-carboxamide?
The InChIKey is GQACHLJRZDSUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O4S/c22-19-3-1-2-4-20(19)29-17-5-7-18(8-6-17)30(27,28)25-13-16(14-25)24-11-9-15(10-12-24)21(23)26/h1-8,15-16H,9-14H2,(H2,23,26).
What are the key properties of 1-[1-[4-(2-chlorophenoxy)phenyl]sulfonylazetidin-3-yl]piperidine-4-carboxamide?
1-[1-[4-(2-chlorophenoxy)phenyl]sulfonylazetidin-3-yl]piperidine-4-carboxamide has a molecular weight of 449.96 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(2-chlorophenoxy)phenyl]sulfonylazetidin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 119099937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).