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

C12H10F3N3O4S — CID 71799812

IUPACN-(2-methoxypyrimidin-5-yl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESCOc1ncc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cn1
InChIInChI=1S/C12H10F3N3O4S/c1-21-11-16-6-8(7-17-11)18-23(19,20)10-4-2-9(3-5-10)22-12(13,14)15/h2-7,18H,1H3
InChIKeyNKHHAWRCIWEULZ-UHFFFAOYSA-N
MW349.29 g/mol
LogP2.18
Rot. Bonds5

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

N-(2-methoxypyrimidin-5-yl)-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 71799812) has the molecular formula C12H10F3N3O4S and a molecular weight of 349.29 g/mol. Its IUPAC name is N-(2-methoxypyrimidin-5-yl)-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxypyrimidin-5-yl)-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID71799812
Molecular FormulaC12H10F3N3O4S
Molecular Weight349.29 g/mol
Exact Mass349.03
IUPAC NameN-(2-methoxypyrimidin-5-yl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESCOc1ncc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cn1
InChIInChI=1S/C12H10F3N3O4S/c1-21-11-16-6-8(7-17-11)18-23(19,20)10-4-2-9(3-5-10)22-12(13,14)15/h2-7,18H,1H3
InChIKeyNKHHAWRCIWEULZ-UHFFFAOYSA-N
XLogP2.18
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.29
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-methoxy-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 40664381
N-(2-methoxypyrimidin-5-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 91968408
N-(3,4-dimethoxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 3863930
1-(2-methoxypyrimidin-5-yl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 122301480
N-(4-ethylphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 17154312
N-(3-chloro-4-methoxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 8523422
4-acetyl-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 2108389
N-(6-fluoro-3-pyridinyl)-4-methoxybenzenesulfonamide
CID 103775697
4-(trifluoromethoxy)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 3346091
3-chloro-N-(2-methoxypyrimidin-5-yl)-4-methylbenzenesulfonamide
CID 122301724
N-(2-methoxypyrimidin-5-yl)-4-pyrazol-1-ylbenzenesulfonamide
CID 122301720
N-[3-(difluoromethoxy)-4-methoxyphenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 36514229

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxypyrimidin-5-yl)-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(2-methoxypyrimidin-5-yl)-4-(trifluoromethoxy)benzenesulfonamide (CID 71799812) is N-(2-methoxypyrimidin-5-yl)-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(2-methoxypyrimidin-5-yl)-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(2-methoxypyrimidin-5-yl)-4-(trifluoromethoxy)benzenesulfonamide is COc1ncc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cn1.
What is the InChIKey of N-(2-methoxypyrimidin-5-yl)-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is NKHHAWRCIWEULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O4S/c1-21-11-16-6-8(7-17-11)18-23(19,20)10-4-2-9(3-5-10)22-12(13,14)15/h2-7,18H,1H3.
What are the key properties of N-(2-methoxypyrimidin-5-yl)-4-(trifluoromethoxy)benzenesulfonamide?
N-(2-methoxypyrimidin-5-yl)-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 349.29 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxypyrimidin-5-yl)-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 71799812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).