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

C12H10F3N3O3S — CID 91968408

IUPACN-(2-methoxypyrimidin-5-yl)-4-(trifluoromethyl)benzenesulfonamide
SMILESCOc1ncc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C12H10F3N3O3S/c1-21-11-16-6-9(7-17-11)18-22(19,20)10-4-2-8(3-5-10)12(13,14)15/h2-7,18H,1H3
InChIKeyBKBJYNPEIMAUKL-UHFFFAOYSA-N
MW333.29 g/mol
LogP2.30
Rot. Bonds4

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

N-(2-methoxypyrimidin-5-yl)-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 91968408) has the molecular formula C12H10F3N3O3S and a molecular weight of 333.29 g/mol. Its IUPAC name is N-(2-methoxypyrimidin-5-yl)-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxypyrimidin-5-yl)-4-(trifluoromethyl)benzenesulfonamide
PubChem CID91968408
Molecular FormulaC12H10F3N3O3S
Molecular Weight333.29 g/mol
Exact Mass333.04
IUPAC NameN-(2-methoxypyrimidin-5-yl)-4-(trifluoromethyl)benzenesulfonamide
SMILESCOc1ncc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C12H10F3N3O3S/c1-21-11-16-6-9(7-17-11)18-22(19,20)10-4-2-8(3-5-10)12(13,14)15/h2-7,18H,1H3
InChIKeyBKBJYNPEIMAUKL-UHFFFAOYSA-N
XLogP2.30
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.29
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-methoxypyrimidin-5-yl)-4-(trifluoromethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxypyrimidin-5-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 71799812
3-chloro-N-(2-methoxypyrimidin-5-yl)-4-methylbenzenesulfonamide
CID 122301724
N-(2-methoxypyrimidin-5-yl)-4-pyrazol-1-ylbenzenesulfonamide
CID 122301720
methyl N-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]carbamate
CID 21239301
2,6-difluoro-N-(2-methoxypyrimidin-5-yl)benzenesulfonamide
CID 122301669
4-bromo-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2212078
4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3791590
N-(2-chloro-4-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide
CID 103944025
N-(6-methoxy-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 40664381
N-(6-fluoro-3-pyridinyl)-4-methoxybenzenesulfonamide
CID 103775697
N-(3-methylsulfonylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 8842839
2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2538540

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxypyrimidin-5-yl)-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(2-methoxypyrimidin-5-yl)-4-(trifluoromethyl)benzenesulfonamide (CID 91968408) is N-(2-methoxypyrimidin-5-yl)-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-methoxypyrimidin-5-yl)-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(2-methoxypyrimidin-5-yl)-4-(trifluoromethyl)benzenesulfonamide is COc1ncc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)cn1.
What is the InChIKey of N-(2-methoxypyrimidin-5-yl)-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is BKBJYNPEIMAUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O3S/c1-21-11-16-6-9(7-17-11)18-22(19,20)10-4-2-8(3-5-10)12(13,14)15/h2-7,18H,1H3.
What are the key properties of N-(2-methoxypyrimidin-5-yl)-4-(trifluoromethyl)benzenesulfonamide?
N-(2-methoxypyrimidin-5-yl)-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 333.29 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxypyrimidin-5-yl)-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 91968408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).