[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-pyridin-2-ylmethanone

C15H13ClN2O3S — CID 71809459

IUPAC[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CC(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H13ClN2O3S/c16-11-4-6-12(7-5-11)22(20,21)13-9-18(10-13)15(19)14-3-1-2-8-17-14/h1-8,13H,9-10H2
InChIKeyJOGNZAJXKSFOJM-UHFFFAOYSA-N
MW336.80 g/mol
LogP2.03
Rot. Bonds3

About [3-(4-chlorophenyl)sulfonylazetidin-1-yl]-pyridin-2-ylmethanone

[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 71809459) 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-2-ylmethanone.

Molecular Properties

Compound Name[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-pyridin-2-ylmethanone
PubChem CID71809459
Molecular FormulaC15H13ClN2O3S
Molecular Weight336.80 g/mol
Exact Mass336.03
IUPAC Name[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CC(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H13ClN2O3S/c16-11-4-6-12(7-5-11)22(20,21)13-9-18(10-13)15(19)14-3-1-2-8-17-14/h1-8,13H,9-10H2
InChIKeyJOGNZAJXKSFOJM-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-2-ylmethanone?
The IUPAC name of [3-(4-chlorophenyl)sulfonylazetidin-1-yl]-pyridin-2-ylmethanone (CID 71809459) is [3-(4-chlorophenyl)sulfonylazetidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [3-(4-chlorophenyl)sulfonylazetidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [3-(4-chlorophenyl)sulfonylazetidin-1-yl]-pyridin-2-ylmethanone is O=C(c1ccccn1)N1CC(S(=O)(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of [3-(4-chlorophenyl)sulfonylazetidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is JOGNZAJXKSFOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3S/c16-11-4-6-12(7-5-11)22(20,21)13-9-18(10-13)15(19)14-3-1-2-8-17-14/h1-8,13H,9-10H2.
What are the key properties of [3-(4-chlorophenyl)sulfonylazetidin-1-yl]-pyridin-2-ylmethanone?
[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-pyridin-2-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-2-ylmethanone is sourced from PubChem (CID 71809459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).