[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-pyridin-3-ylmethanone

C15H13ClN2O3S — CID 71809458

IUPAC[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CC(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H13ClN2O3S/c16-12-3-5-13(6-4-12)22(20,21)14-9-18(10-14)15(19)11-2-1-7-17-8-11/h1-8,14H,9-10H2
InChIKeyALXRCRATOSSVLL-UHFFFAOYSA-N
MW336.80 g/mol
LogP2.03
Rot. Bonds3

About [3-(4-chlorophenyl)sulfonylazetidin-1-yl]-pyridin-3-ylmethanone

[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 71809458) has the molecular formula C15H13ClN2O3S and a molecular weight of 336.80 g/mol. Its IUPAC name is [3-(4-chlorophenyl)sulfonylazetidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-pyridin-3-ylmethanone
PubChem CID71809458
Molecular FormulaC15H13ClN2O3S
Molecular Weight336.80 g/mol
Exact Mass336.03
IUPAC Name[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CC(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H13ClN2O3S/c16-12-3-5-13(6-4-12)22(20,21)14-9-18(10-14)15(19)11-2-1-7-17-8-11/h1-8,14H,9-10H2
InChIKeyALXRCRATOSSVLL-UHFFFAOYSA-N
XLogP2.03
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.80
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)sulfonylazetidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [3-(4-chlorophenyl)sulfonylazetidin-1-yl]-pyridin-3-ylmethanone (CID 71809458) is [3-(4-chlorophenyl)sulfonylazetidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [3-(4-chlorophenyl)sulfonylazetidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [3-(4-chlorophenyl)sulfonylazetidin-1-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CC(S(=O)(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of [3-(4-chlorophenyl)sulfonylazetidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is ALXRCRATOSSVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3S/c16-12-3-5-13(6-4-12)22(20,21)14-9-18(10-14)15(19)11-2-1-7-17-8-11/h1-8,14H,9-10H2.
What are the key properties of [3-(4-chlorophenyl)sulfonylazetidin-1-yl]-pyridin-3-ylmethanone?
[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 336.80 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)sulfonylazetidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 71809458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).