(2-chloro-6-fluorophenyl)-(3-cyclohexylsulfonylazetidin-1-yl)methanone

Name: (2-chloro-6-fluorophenyl)-(3-cyclohexylsulfonylazetidin-1-yl)methanone — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₆H₁₉ClFNO₃S — CID 71809300

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(2-chloro-6-fluorophenyl)-(3-cyclohexylsulfonylazetidin-1-yl)methanone

SMILESO=C(c1c(F)cccc1Cl)N1CC(S(=O)(=O)C2CCCCC2)C1

InChIInChI=1S/C16H19ClFNO3S/c17-13-7-4-8-14(18)15(13)16(20)19-9-12(10-19)23(21,22)11-5-2-1-3-6-11/h4,7-8,11-12H,1-3,5-6,9-10H2

InChIKeyZVXLYQFOHMOBMZ-UHFFFAOYSA-N

MW359.85 g/mol

LogP3.05

Rot. Bonds3

About (2-chloro-6-fluorophenyl)-(3-cyclohexylsulfonylazetidin-1-yl)methanone

(2-chloro-6-fluorophenyl)-(3-cyclohexylsulfonylazetidin-1-yl)methanone (PubChem CID 71809300) has the molecular formula C₁₆H₁₉ClFNO₃S and a molecular weight of 359.85 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)-(3-cyclohexylsulfonylazetidin-1-yl)methanone.

Molecular Properties

Compound Name	(2-chloro-6-fluorophenyl)-(3-cyclohexylsulfonylazetidin-1-yl)methanone
PubChem CID	71809300
Molecular Formula	C₁₆H₁₉ClFNO₃S
Molecular Weight	359.85 g/mol
Exact Mass	359.08
IUPAC Name	(2-chloro-6-fluorophenyl)-(3-cyclohexylsulfonylazetidin-1-yl)methanone
SMILES	O=C(c1c(F)cccc1Cl)N1CC(S(=O)(=O)C2CCCCC2)C1
InChI	InChI=1S/C16H19ClFNO3S/c17-13-7-4-8-14(18)15(13)16(20)19-9-12(10-19)23(21,22)11-5-2-1-3-6-11/h4,7-8,11-12H,1-3,5-6,9-10H2
InChIKey	ZVXLYQFOHMOBMZ-UHFFFAOYSA-N
XLogP	3.05
TPSA	54.45 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	3
Heavy Atoms	23
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.85
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)-(3-cyclohexylsulfonylazetidin-1-yl)methanone?

The IUPAC name of (2-chloro-6-fluorophenyl)-(3-cyclohexylsulfonylazetidin-1-yl)methanone (CID 71809300) is (2-chloro-6-fluorophenyl)-(3-cyclohexylsulfonylazetidin-1-yl)methanone.

What is the SMILES notation for (2-chloro-6-fluorophenyl)-(3-cyclohexylsulfonylazetidin-1-yl)methanone?

The canonical SMILES for (2-chloro-6-fluorophenyl)-(3-cyclohexylsulfonylazetidin-1-yl)methanone is O=C(c1c(F)cccc1Cl)N1CC(S(=O)(=O)C2CCCCC2)C1.

What is the InChIKey of (2-chloro-6-fluorophenyl)-(3-cyclohexylsulfonylazetidin-1-yl)methanone?

The InChIKey is ZVXLYQFOHMOBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFNO3S/c17-13-7-4-8-14(18)15(13)16(20)19-9-12(10-19)23(21,22)11-5-2-1-3-6-11/h4,7-8,11-12H,1-3,5-6,9-10H2.

What are the key properties of (2-chloro-6-fluorophenyl)-(3-cyclohexylsulfonylazetidin-1-yl)methanone?

(2-chloro-6-fluorophenyl)-(3-cyclohexylsulfonylazetidin-1-yl)methanone has a molecular weight of 359.85 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2-chloro-6-fluorophenyl)-(3-cyclohexylsulfonylazetidin-1-yl)methanone is sourced from PubChem (CID 71809300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 71809300 — identifiers, structure, computed properties (public domain)

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