N-pyrimidin-2-yl-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide

C12H10F3N3O3S — CID 86807415

IUPACN-pyrimidin-2-yl-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(OC(F)(F)F)cc1)Nc1ncccn1
InChIInChI=1S/C12H10F3N3O3S/c13-12(14,15)21-10-4-2-9(3-5-10)8-22(19,20)18-11-16-6-1-7-17-11/h1-7H,8H2,(H,16,17,18)
InChIKeyPSXGUDVYMIKSEY-UHFFFAOYSA-N
MW333.29 g/mol
LogP2.32
Rot. Bonds5

About N-pyrimidin-2-yl-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide

N-pyrimidin-2-yl-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide (PubChem CID 86807415) has the molecular formula C12H10F3N3O3S and a molecular weight of 333.29 g/mol. Its IUPAC name is N-pyrimidin-2-yl-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-pyrimidin-2-yl-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide
PubChem CID86807415
Molecular FormulaC12H10F3N3O3S
Molecular Weight333.29 g/mol
Exact Mass333.04
IUPAC NameN-pyrimidin-2-yl-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(OC(F)(F)F)cc1)Nc1ncccn1
InChIInChI=1S/C12H10F3N3O3S/c13-12(14,15)21-10-4-2-9(3-5-10)8-22(19,20)18-11-16-6-1-7-17-11/h1-7H,8H2,(H,16,17,18)
InChIKeyPSXGUDVYMIKSEY-UHFFFAOYSA-N
XLogP2.32
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.29
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-pyrimidin-2-yl-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide 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-methyl-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide
CID 145265613
N-(2-pyrazol-1-ylphenyl)-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide
CID 137429571
N-(5-methyl-1H-pyrazol-4-yl)-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide
CID 100687501
2-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidine
CID 68630973
[4-[4-(trifluoromethoxy)phenoxy]phenyl]methanesulfonamide
CID 91020906
2-methyl-1-[[4-(trifluoromethoxy)phenyl]methylsulfonyl]propan-2-amine
CID 81189605
(2R)-1-benzylsulfonyl-3-[4-(trifluoromethoxy)phenoxy]propan-2-ol
CID 6975397
2-pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 28579124
2-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxylic acid
CID 67521270
N-[4-(trifluoromethoxy)phenyl]quinoline-8-sulfonamide
CID 4259954
N-(8-methyl-2-oxo-1-prop-2-ynyl-3,4-dihydroquinolin-6-yl)-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide
CID 122576935
2-methylsulfonyl-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazole
CID 175147349

Frequently Asked Questions

What is the IUPAC name of N-pyrimidin-2-yl-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide?
The IUPAC name of N-pyrimidin-2-yl-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide (CID 86807415) is N-pyrimidin-2-yl-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide.
What is the SMILES notation for N-pyrimidin-2-yl-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide?
The canonical SMILES for N-pyrimidin-2-yl-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide is O=S(=O)(Cc1ccc(OC(F)(F)F)cc1)Nc1ncccn1.
What is the InChIKey of N-pyrimidin-2-yl-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide?
The InChIKey is PSXGUDVYMIKSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O3S/c13-12(14,15)21-10-4-2-9(3-5-10)8-22(19,20)18-11-16-6-1-7-17-11/h1-7H,8H2,(H,16,17,18).
What are the key properties of N-pyrimidin-2-yl-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide?
N-pyrimidin-2-yl-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide has a molecular weight of 333.29 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrimidin-2-yl-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide is sourced from PubChem (CID 86807415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).