N-(6-methoxypyrimidin-4-yl)-4-(trifluoromethoxy)benzenesulfonamide

C12H10F3N3O4S — CID 71795764

IUPACN-(6-methoxypyrimidin-4-yl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)ncn1
InChIInChI=1S/C12H10F3N3O4S/c1-21-11-6-10(16-7-17-11)18-23(19,20)9-4-2-8(3-5-9)22-12(13,14)15/h2-7H,1H3,(H,16,17,18)
InChIKeyNTUICCDFEUJCJG-UHFFFAOYSA-N
MW349.29 g/mol
LogP2.18
Rot. Bonds5

About N-(6-methoxypyrimidin-4-yl)-4-(trifluoromethoxy)benzenesulfonamide

N-(6-methoxypyrimidin-4-yl)-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 71795764) has the molecular formula C12H10F3N3O4S and a molecular weight of 349.29 g/mol. Its IUPAC name is N-(6-methoxypyrimidin-4-yl)-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(6-methoxypyrimidin-4-yl)-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID71795764
Molecular FormulaC12H10F3N3O4S
Molecular Weight349.29 g/mol
Exact Mass349.03
IUPAC NameN-(6-methoxypyrimidin-4-yl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)ncn1
InChIInChI=1S/C12H10F3N3O4S/c1-21-11-6-10(16-7-17-11)18-23(19,20)9-4-2-8(3-5-9)22-12(13,14)15/h2-7H,1H3,(H,16,17,18)
InChIKeyNTUICCDFEUJCJG-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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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxypyrimidin-4-yl)-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(6-methoxypyrimidin-4-yl)-4-(trifluoromethoxy)benzenesulfonamide (CID 71795764) is N-(6-methoxypyrimidin-4-yl)-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(6-methoxypyrimidin-4-yl)-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(6-methoxypyrimidin-4-yl)-4-(trifluoromethoxy)benzenesulfonamide is COc1cc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)ncn1.
What is the InChIKey of N-(6-methoxypyrimidin-4-yl)-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is NTUICCDFEUJCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O4S/c1-21-11-6-10(16-7-17-11)18-23(19,20)9-4-2-8(3-5-9)22-12(13,14)15/h2-7H,1H3,(H,16,17,18).
What are the key properties of N-(6-methoxypyrimidin-4-yl)-4-(trifluoromethoxy)benzenesulfonamide?
N-(6-methoxypyrimidin-4-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-(6-methoxypyrimidin-4-yl)-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 71795764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).