[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone

C14H13F3N4O3S — CID 91814587

IUPAC[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCn1ccnc1S(=O)(=O)C1CN(C(=O)c2ccc(C(F)(F)F)nc2)C1
InChIInChI=1S/C14H13F3N4O3S/c1-20-5-4-18-13(20)25(23,24)10-7-21(8-10)12(22)9-2-3-11(19-6-9)14(15,16)17/h2-6,10H,7-8H2,1H3
InChIKeyYMWCNIDZDKBJHG-UHFFFAOYSA-N
MW374.34 g/mol
LogP1.13
Rot. Bonds3

About [3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone

[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 91814587) has the molecular formula C14H13F3N4O3S and a molecular weight of 374.34 g/mol. Its IUPAC name is [3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID91814587
Molecular FormulaC14H13F3N4O3S
Molecular Weight374.34 g/mol
Exact Mass374.07
IUPAC Name[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCn1ccnc1S(=O)(=O)C1CN(C(=O)c2ccc(C(F)(F)F)nc2)C1
InChIInChI=1S/C14H13F3N4O3S/c1-20-5-4-18-13(20)25(23,24)10-7-21(8-10)12(22)9-2-3-11(19-6-9)14(15,16)17/h2-6,10H,7-8H2,1H3
InChIKeyYMWCNIDZDKBJHG-UHFFFAOYSA-N
XLogP1.13
TPSA85.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.34
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of [3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone (CID 91814587) is [3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for [3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for [3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone is Cn1ccnc1S(=O)(=O)C1CN(C(=O)c2ccc(C(F)(F)F)nc2)C1.
What is the InChIKey of [3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is YMWCNIDZDKBJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O3S/c1-20-5-4-18-13(20)25(23,24)10-7-21(8-10)12(22)9-2-3-11(19-6-9)14(15,16)17/h2-6,10H,7-8H2,1H3.
What are the key properties of [3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 374.34 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 91814587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).