5-(4-methoxypyrimidin-5-yl)-2-(trifluoromethoxy)benzenesulfonamide

C12H10F3N3O4S — CID 167980928

IUPAC5-(4-methoxypyrimidin-5-yl)-2-(trifluoromethoxy)benzenesulfonamide
SMILESCOc1ncncc1-c1ccc(OC(F)(F)F)c(S(N)(=O)=O)c1
InChIInChI=1S/C12H10F3N3O4S/c1-21-11-8(5-17-6-18-11)7-2-3-9(22-12(13,14)15)10(4-7)23(16,19)20/h2-6H,1H3,(H2,16,19,20)
InChIKeyCZUKUAPCCZVNBI-UHFFFAOYSA-N
MW349.29 g/mol
LogP1.70
Rot. Bonds4

About 5-(4-methoxypyrimidin-5-yl)-2-(trifluoromethoxy)benzenesulfonamide

5-(4-methoxypyrimidin-5-yl)-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 167980928) has the molecular formula C12H10F3N3O4S and a molecular weight of 349.29 g/mol. Its IUPAC name is 5-(4-methoxypyrimidin-5-yl)-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound Name5-(4-methoxypyrimidin-5-yl)-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID167980928
Molecular FormulaC12H10F3N3O4S
Molecular Weight349.29 g/mol
Exact Mass349.03
IUPAC Name5-(4-methoxypyrimidin-5-yl)-2-(trifluoromethoxy)benzenesulfonamide
SMILESCOc1ncncc1-c1ccc(OC(F)(F)F)c(S(N)(=O)=O)c1
InChIInChI=1S/C12H10F3N3O4S/c1-21-11-8(5-17-6-18-11)7-2-3-9(22-12(13,14)15)10(4-7)23(16,19)20/h2-6H,1H3,(H2,16,19,20)
InChIKeyCZUKUAPCCZVNBI-UHFFFAOYSA-N
XLogP1.70
TPSA104.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.29
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-5-[4-(trifluoromethyl)phenyl]pyrimidine
CID 155969730
6-methoxy-2-methyl-5-(trifluoromethoxy)pyridine-3-sulfonamide
CID 134679348
3-hydroxy-6-methoxy-5-(trifluoromethoxy)pyridine-2-sulfonamide
CID 134659587
5-iodo-2-(trifluoromethoxy)benzenesulfonamide
CID 170998338
4-(trifluoromethoxy)pyridine-3-sulfonamide
CID 118829617
5-(1-propan-2-ylpyrazol-3-yl)-2-(trifluoromethoxy)benzenesulfonamide
CID 166275064
4-[3-chloro-4-(trifluoromethoxy)phenyl]-5-methoxypyrimidine
CID 46831438
5-(3-ethyl-4-methoxyphenyl)pyrimidin-4-amine
CID 82288448
2,6-difluoro-4-[3-[3-methyl-4-(trifluoromethoxy)phenyl]-4-pyridinyl]benzenesulfonamide
CID 23090611
5-hydroxy-4-methoxy-6-(trifluoromethoxy)pyridine-3-sulfonamide
CID 134665739
2-chloro-4-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 134625852
5-(2-amino-4-methyl-1,3-thiazol-5-yl)-2-methoxybenzenesulfonamide
CID 154989865

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxypyrimidin-5-yl)-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of 5-(4-methoxypyrimidin-5-yl)-2-(trifluoromethoxy)benzenesulfonamide (CID 167980928) is 5-(4-methoxypyrimidin-5-yl)-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for 5-(4-methoxypyrimidin-5-yl)-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for 5-(4-methoxypyrimidin-5-yl)-2-(trifluoromethoxy)benzenesulfonamide is COc1ncncc1-c1ccc(OC(F)(F)F)c(S(N)(=O)=O)c1.
What is the InChIKey of 5-(4-methoxypyrimidin-5-yl)-2-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is CZUKUAPCCZVNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O4S/c1-21-11-8(5-17-6-18-11)7-2-3-9(22-12(13,14)15)10(4-7)23(16,19)20/h2-6H,1H3,(H2,16,19,20).
What are the key properties of 5-(4-methoxypyrimidin-5-yl)-2-(trifluoromethoxy)benzenesulfonamide?
5-(4-methoxypyrimidin-5-yl)-2-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 349.29 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxypyrimidin-5-yl)-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 167980928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).