4-chloro-6-[3-(trifluoromethyl)phenyl]sulfonylpyrimidine

C11H6ClF3N2O2S — CID 139751863

IUPAC4-chloro-6-[3-(trifluoromethyl)phenyl]sulfonylpyrimidine
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)c1cc(Cl)ncn1
InChIInChI=1S/C11H6ClF3N2O2S/c12-9-5-10(17-6-16-9)20(18,19)8-3-1-2-7(4-8)11(13,14)15/h1-6H
InChIKeyRCCRTNTZQQOCDQ-UHFFFAOYSA-N
MW322.70 g/mol
LogP2.98
Rot. Bonds2

About 4-chloro-6-[3-(trifluoromethyl)phenyl]sulfonylpyrimidine

4-chloro-6-[3-(trifluoromethyl)phenyl]sulfonylpyrimidine (PubChem CID 139751863) has the molecular formula C11H6ClF3N2O2S and a molecular weight of 322.70 g/mol. Its IUPAC name is 4-chloro-6-[3-(trifluoromethyl)phenyl]sulfonylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-[3-(trifluoromethyl)phenyl]sulfonylpyrimidine
PubChem CID139751863
Molecular FormulaC11H6ClF3N2O2S
Molecular Weight322.70 g/mol
Exact Mass321.98
IUPAC Name4-chloro-6-[3-(trifluoromethyl)phenyl]sulfonylpyrimidine
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)c1cc(Cl)ncn1
InChIInChI=1S/C11H6ClF3N2O2S/c12-9-5-10(17-6-16-9)20(18,19)8-3-1-2-7(4-8)11(13,14)15/h1-6H
InChIKeyRCCRTNTZQQOCDQ-UHFFFAOYSA-N
XLogP2.98
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.70
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-chloro-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3851411
potassium [3-(trifluoromethyl)phenyl]sulfonylazanide
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CID 70262336
CID 70262336
1-(1-chloroethylsulfonyl)-3-(trifluoromethyl)benzene
CID 140553640
N-(3,4-dichlorophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3827333
methanidyl-[3-(trifluoromethyl)phenyl]sulfonylazanium
CID 59280550
N,N-diethyl-3-[3-(trifluoromethyl)phenyl]sulfonylpyrazole-1-carboxamide
CID 19932074
2-thiophen-2-ylsulfonyl-4-(trifluoromethyl)pyridine
CID 2821093
4-phenyl-5-[3-(trifluoromethyl)phenyl]sulfonylthiadiazole
CID 3720994
5-bromo-2-[3-(trifluoromethyl)phenyl]sulfonylbenzoic acid
CID 164513688
N-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzenesulfonamide
CID 82724634
2,2-difluoro-2-[3-(trifluoromethyl)phenyl]sulfonylacetic acid
CID 81218082

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[3-(trifluoromethyl)phenyl]sulfonylpyrimidine?
The IUPAC name of 4-chloro-6-[3-(trifluoromethyl)phenyl]sulfonylpyrimidine (CID 139751863) is 4-chloro-6-[3-(trifluoromethyl)phenyl]sulfonylpyrimidine.
What is the SMILES notation for 4-chloro-6-[3-(trifluoromethyl)phenyl]sulfonylpyrimidine?
The canonical SMILES for 4-chloro-6-[3-(trifluoromethyl)phenyl]sulfonylpyrimidine is O=S(=O)(c1cccc(C(F)(F)F)c1)c1cc(Cl)ncn1.
What is the InChIKey of 4-chloro-6-[3-(trifluoromethyl)phenyl]sulfonylpyrimidine?
The InChIKey is RCCRTNTZQQOCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF3N2O2S/c12-9-5-10(17-6-16-9)20(18,19)8-3-1-2-7(4-8)11(13,14)15/h1-6H.
What are the key properties of 4-chloro-6-[3-(trifluoromethyl)phenyl]sulfonylpyrimidine?
4-chloro-6-[3-(trifluoromethyl)phenyl]sulfonylpyrimidine has a molecular weight of 322.70 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[3-(trifluoromethyl)phenyl]sulfonylpyrimidine is sourced from PubChem (CID 139751863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).