N-(4,5-dimethyl-1,2-oxazol-3-yl)-N-methyl-2-[4-pyrimidin-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide

C26H21F3N6O3S — CID 67661634

IUPACN-(4,5-dimethyl-1,2-oxazol-3-yl)-N-methyl-2-[4-pyrimidin-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide
SMILESCc1onc(N(C)S(=O)(=O)c2ccccc2-c2ccc(-c3ncccn3)cc2-n2ccc(C(F)(F)F)n2)c1C
InChIInChI=1S/C26H21F3N6O3S/c1-16-17(2)38-33-25(16)34(3)39(36,37)22-8-5-4-7-20(22)19-10-9-18(24-30-12-6-13-31-24)15-21(19)35-14-11-23(32-35)26(27,28)29/h4-15H,1-3H3
InChIKeyDJVNNHGAWXGHKE-UHFFFAOYSA-N
MW554.55 g/mol
LogP5.45
Rot. Bonds6

About N-(4,5-dimethyl-1,2-oxazol-3-yl)-N-methyl-2-[4-pyrimidin-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide

N-(4,5-dimethyl-1,2-oxazol-3-yl)-N-methyl-2-[4-pyrimidin-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide (PubChem CID 67661634) has the molecular formula C26H21F3N6O3S and a molecular weight of 554.55 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,2-oxazol-3-yl)-N-methyl-2-[4-pyrimidin-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,2-oxazol-3-yl)-N-methyl-2-[4-pyrimidin-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide
PubChem CID67661634
Molecular FormulaC26H21F3N6O3S
Molecular Weight554.55 g/mol
Exact Mass554.13
IUPAC NameN-(4,5-dimethyl-1,2-oxazol-3-yl)-N-methyl-2-[4-pyrimidin-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide
SMILESCc1onc(N(C)S(=O)(=O)c2ccccc2-c2ccc(-c3ncccn3)cc2-n2ccc(C(F)(F)F)n2)c1C
InChIInChI=1S/C26H21F3N6O3S/c1-16-17(2)38-33-25(16)34(3)39(36,37)22-8-5-4-7-20(22)19-10-9-18(24-30-12-6-13-31-24)15-21(19)35-14-11-23(32-35)26(27,28)29/h4-15H,1-3H3
InChIKeyDJVNNHGAWXGHKE-UHFFFAOYSA-N
XLogP5.45
TPSA107.01 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.55
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-(4,5-dimethyl-1,2-oxazol-3-yl)-N-methyl-2-[4-pyrimidin-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,2-oxazol-3-yl)-N-methyl-2-[4-pyrimidin-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide?
The IUPAC name of N-(4,5-dimethyl-1,2-oxazol-3-yl)-N-methyl-2-[4-pyrimidin-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide (CID 67661634) is N-(4,5-dimethyl-1,2-oxazol-3-yl)-N-methyl-2-[4-pyrimidin-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-(4,5-dimethyl-1,2-oxazol-3-yl)-N-methyl-2-[4-pyrimidin-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide?
The canonical SMILES for N-(4,5-dimethyl-1,2-oxazol-3-yl)-N-methyl-2-[4-pyrimidin-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide is Cc1onc(N(C)S(=O)(=O)c2ccccc2-c2ccc(-c3ncccn3)cc2-n2ccc(C(F)(F)F)n2)c1C.
What is the InChIKey of N-(4,5-dimethyl-1,2-oxazol-3-yl)-N-methyl-2-[4-pyrimidin-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide?
The InChIKey is DJVNNHGAWXGHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N6O3S/c1-16-17(2)38-33-25(16)34(3)39(36,37)22-8-5-4-7-20(22)19-10-9-18(24-30-12-6-13-31-24)15-21(19)35-14-11-23(32-35)26(27,28)29/h4-15H,1-3H3.
What are the key properties of N-(4,5-dimethyl-1,2-oxazol-3-yl)-N-methyl-2-[4-pyrimidin-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide?
N-(4,5-dimethyl-1,2-oxazol-3-yl)-N-methyl-2-[4-pyrimidin-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide has a molecular weight of 554.55 g/mol, XLogP of 5.45, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,2-oxazol-3-yl)-N-methyl-2-[4-pyrimidin-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 67661634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).