N-[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]-4-(trifluoromethoxy)benzenesulfonamide

C24H18F3N3O4S2 — CID 11443995

IUPACN-[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESCc1ccccc1C(=O)c1cnc(Nc2ccc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)cc2)s1
InChIInChI=1S/C24H18F3N3O4S2/c1-15-4-2-3-5-20(15)22(31)21-14-28-23(35-21)29-16-6-8-17(9-7-16)30-36(32,33)19-12-10-18(11-13-19)34-24(25,26)27/h2-14,30H,1H3,(H,28,29)
InChIKeyPXJJDEXZUFSFKW-UHFFFAOYSA-N
MW533.55 g/mol
LogP6.13
Rot. Bonds8

About N-[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]-4-(trifluoromethoxy)benzenesulfonamide

N-[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 11443995) has the molecular formula C24H18F3N3O4S2 and a molecular weight of 533.55 g/mol. Its IUPAC name is N-[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID11443995
Molecular FormulaC24H18F3N3O4S2
Molecular Weight533.55 g/mol
Exact Mass533.07
IUPAC NameN-[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESCc1ccccc1C(=O)c1cnc(Nc2ccc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)cc2)s1
InChIInChI=1S/C24H18F3N3O4S2/c1-15-4-2-3-5-20(15)22(31)21-14-28-23(35-21)29-16-6-8-17(9-7-16)30-36(32,33)19-12-10-18(11-13-19)34-24(25,26)27/h2-14,30H,1H3,(H,28,29)
InChIKeyPXJJDEXZUFSFKW-UHFFFAOYSA-N
XLogP6.13
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.55
LogP ≤ 56.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]-4-(trifluoromethoxy)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-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]-4-(trifluoromethoxy)benzenesulfonamide (CID 11443995) is N-[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]-4-(trifluoromethoxy)benzenesulfonamide is Cc1ccccc1C(=O)c1cnc(Nc2ccc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)cc2)s1.
What is the InChIKey of N-[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is PXJJDEXZUFSFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3O4S2/c1-15-4-2-3-5-20(15)22(31)21-14-28-23(35-21)29-16-6-8-17(9-7-16)30-36(32,33)19-12-10-18(11-13-19)34-24(25,26)27/h2-14,30H,1H3,(H,28,29).
What are the key properties of N-[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]-4-(trifluoromethoxy)benzenesulfonamide?
N-[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 533.55 g/mol, XLogP of 6.13, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 11443995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).