N-(4-phenyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzenesulfonamide

C16H11F3N2O2S2 — CID 4851019

IUPACN-(4-phenyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1nc(-c2ccccc2)cs1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H11F3N2O2S2/c17-16(18,19)12-7-4-8-13(9-12)25(22,23)21-15-20-14(10-24-15)11-5-2-1-3-6-11/h1-10H,(H,20,21)
InChIKeyFWTCQPYLOXTLML-UHFFFAOYSA-N
MW384.40 g/mol
LogP4.63
Rot. Bonds4

About N-(4-phenyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzenesulfonamide

N-(4-phenyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 4851019) has the molecular formula C16H11F3N2O2S2 and a molecular weight of 384.40 g/mol. Its IUPAC name is N-(4-phenyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-phenyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID4851019
Molecular FormulaC16H11F3N2O2S2
Molecular Weight384.40 g/mol
Exact Mass384.02
IUPAC NameN-(4-phenyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1nc(-c2ccccc2)cs1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H11F3N2O2S2/c17-16(18,19)12-7-4-8-13(9-12)25(22,23)21-15-20-14(10-24-15)11-5-2-1-3-6-11/h1-10H,(H,20,21)
InChIKeyFWTCQPYLOXTLML-UHFFFAOYSA-N
XLogP4.63
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_F(1)', 'substructure': 'N/A'}

Analyze N-(4-phenyl-1,3-thiazol-2-yl)-3-(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

CID 40302
CID 40302
CID 76075
CID 76075
CID 40301
CID 40301
CID 722371
CID 722371
CID 3768902
CID 3768902
CID 706326
CID 706326
CID 706457
CID 706457
CID 2737741
CID 2737741
CID 897841
CID 897841
CID 777996
CID 777996
CID 2737696
CID 2737696
CID 611370
CID 611370

Frequently Asked Questions

What is the IUPAC name of N-(4-phenyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(4-phenyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzenesulfonamide (CID 4851019) is N-(4-phenyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(4-phenyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(4-phenyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1nc(-c2ccccc2)cs1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(4-phenyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is FWTCQPYLOXTLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2S2/c17-16(18,19)12-7-4-8-13(9-12)25(22,23)21-15-20-14(10-24-15)11-5-2-1-3-6-11/h1-10H,(H,20,21).
What are the key properties of N-(4-phenyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzenesulfonamide?
N-(4-phenyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 384.40 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 4851019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).