2,1,3-benzothiadiazol-5-yl-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone

C16H12FN3O3S2 — CID 71809204

IUPAC2,1,3-benzothiadiazol-5-yl-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone
SMILESO=C(c1ccc2nsnc2c1)N1CC(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C16H12FN3O3S2/c17-11-2-4-12(5-3-11)25(22,23)13-8-20(9-13)16(21)10-1-6-14-15(7-10)19-24-18-14/h1-7,13H,8-9H2
InChIKeyUADZEHNWHWTEBD-UHFFFAOYSA-N
MW377.42 g/mol
LogP2.13
Rot. Bonds3

About 2,1,3-benzothiadiazol-5-yl-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone

2,1,3-benzothiadiazol-5-yl-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone (PubChem CID 71809204) has the molecular formula C16H12FN3O3S2 and a molecular weight of 377.42 g/mol. Its IUPAC name is 2,1,3-benzothiadiazol-5-yl-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone.

Molecular Properties

Compound Name2,1,3-benzothiadiazol-5-yl-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone
PubChem CID71809204
Molecular FormulaC16H12FN3O3S2
Molecular Weight377.42 g/mol
Exact Mass377.03
IUPAC Name2,1,3-benzothiadiazol-5-yl-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone
SMILESO=C(c1ccc2nsnc2c1)N1CC(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C16H12FN3O3S2/c17-11-2-4-12(5-3-11)25(22,23)13-8-20(9-13)16(21)10-1-6-14-15(7-10)19-24-18-14/h1-7,13H,8-9H2
InChIKeyUADZEHNWHWTEBD-UHFFFAOYSA-N
XLogP2.13
TPSA80.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R)-3-(benzenesulfonyl)pyrrolidin-1-yl]-(2,1,3-benzothiadiazol-5-yl)methanone
CID 129373846
(3,4-diethoxyphenyl)-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone
CID 90593103
[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(furan-3-yl)methanone
CID 71809262
(4-fluorophenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone
CID 90589559
[(1S,5S)-3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-(2,1,3-benzothiadiazol-5-yl)methanone
CID 98193070
1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone
CID 71809175
(6-bromo-2-methylindazol-3-yl)-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone
CID 90593027
2-(4-fluorophenyl)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone
CID 90592908
(2-ethyl-1,3-benzothiazol-6-yl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone
CID 90589684
(3-methoxy-2-methylindazol-6-yl)-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]methanone
CID 90593436
3-[1-(2,1,3-benzothiadiazole-5-carbonyl)azetidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 91814801
2,1,3-benzothiadiazol-5-yl-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]methanone
CID 126891901

Frequently Asked Questions

What is the IUPAC name of 2,1,3-benzothiadiazol-5-yl-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone?
The IUPAC name of 2,1,3-benzothiadiazol-5-yl-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone (CID 71809204) is 2,1,3-benzothiadiazol-5-yl-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone.
What is the SMILES notation for 2,1,3-benzothiadiazol-5-yl-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone?
The canonical SMILES for 2,1,3-benzothiadiazol-5-yl-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone is O=C(c1ccc2nsnc2c1)N1CC(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 2,1,3-benzothiadiazol-5-yl-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone?
The InChIKey is UADZEHNWHWTEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O3S2/c17-11-2-4-12(5-3-11)25(22,23)13-8-20(9-13)16(21)10-1-6-14-15(7-10)19-24-18-14/h1-7,13H,8-9H2.
What are the key properties of 2,1,3-benzothiadiazol-5-yl-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone?
2,1,3-benzothiadiazol-5-yl-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone has a molecular weight of 377.42 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,1,3-benzothiadiazol-5-yl-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone is sourced from PubChem (CID 71809204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).