2-[(1-ethylimidazol-2-yl)sulfonylmethyl]-4-(trifluoromethyl)pyrimidine

C11H11F3N4O2S — CID 167905578

IUPAC2-[(1-ethylimidazol-2-yl)sulfonylmethyl]-4-(trifluoromethyl)pyrimidine
SMILESCCn1ccnc1S(=O)(=O)Cc1nccc(C(F)(F)F)n1
InChIInChI=1S/C11H11F3N4O2S/c1-2-18-6-5-16-10(18)21(19,20)7-9-15-4-3-8(17-9)11(12,13)14/h3-6H,2,7H2,1H3
InChIKeyINOVLRKTUJEVDN-UHFFFAOYSA-N
MW320.30 g/mol
LogP1.69
Rot. Bonds4

About 2-[(1-ethylimidazol-2-yl)sulfonylmethyl]-4-(trifluoromethyl)pyrimidine

2-[(1-ethylimidazol-2-yl)sulfonylmethyl]-4-(trifluoromethyl)pyrimidine (PubChem CID 167905578) has the molecular formula C11H11F3N4O2S and a molecular weight of 320.30 g/mol. Its IUPAC name is 2-[(1-ethylimidazol-2-yl)sulfonylmethyl]-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-[(1-ethylimidazol-2-yl)sulfonylmethyl]-4-(trifluoromethyl)pyrimidine
PubChem CID167905578
Molecular FormulaC11H11F3N4O2S
Molecular Weight320.30 g/mol
Exact Mass320.06
IUPAC Name2-[(1-ethylimidazol-2-yl)sulfonylmethyl]-4-(trifluoromethyl)pyrimidine
SMILESCCn1ccnc1S(=O)(=O)Cc1nccc(C(F)(F)F)n1
InChIInChI=1S/C11H11F3N4O2S/c1-2-18-6-5-16-10(18)21(19,20)7-9-15-4-3-8(17-9)11(12,13)14/h3-6H,2,7H2,1H3
InChIKeyINOVLRKTUJEVDN-UHFFFAOYSA-N
XLogP1.69
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylimidazol-2-yl)sulfonylmethyl]-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-[(1-ethylimidazol-2-yl)sulfonylmethyl]-4-(trifluoromethyl)pyrimidine (CID 167905578) is 2-[(1-ethylimidazol-2-yl)sulfonylmethyl]-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-[(1-ethylimidazol-2-yl)sulfonylmethyl]-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-[(1-ethylimidazol-2-yl)sulfonylmethyl]-4-(trifluoromethyl)pyrimidine is CCn1ccnc1S(=O)(=O)Cc1nccc(C(F)(F)F)n1.
What is the InChIKey of 2-[(1-ethylimidazol-2-yl)sulfonylmethyl]-4-(trifluoromethyl)pyrimidine?
The InChIKey is INOVLRKTUJEVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O2S/c1-2-18-6-5-16-10(18)21(19,20)7-9-15-4-3-8(17-9)11(12,13)14/h3-6H,2,7H2,1H3.
What are the key properties of 2-[(1-ethylimidazol-2-yl)sulfonylmethyl]-4-(trifluoromethyl)pyrimidine?
2-[(1-ethylimidazol-2-yl)sulfonylmethyl]-4-(trifluoromethyl)pyrimidine has a molecular weight of 320.30 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylimidazol-2-yl)sulfonylmethyl]-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 167905578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).