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'}

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Related Compounds

2-Amino-4-phenylthiazole
CID 40302
2-Amino-4-(4-biphenylyl)thiazole
CID 76075
2-Amino-4-phenylthiazole hydrobromide monohydrate
CID 40301
4-(4-Fluorophenyl)-1,3-thiazol-2-amine
CID 722371
4-(4-Benzylphenyl)thiazol-2-amine
CID 3768902
4-(3,4-Difluorophenyl)-1,3-thiazol-2-amine
CID 706326
4-(3-(Trifluoromethyl)phenyl)-1,3-thiazol-2-amine
CID 706457
4-(4-(Trifluoromethyl)phenyl)-1,3-thiazol-2-amine
CID 2737741
4-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 897841
4-(3-Fluorophenyl)-1,3-thiazol-2-amine
CID 777996
4-(2-Fluorophenyl)-1,3-thiazol-2-amine
CID 2737696
2-Amino-4-(2,4-difluorophenyl)thiazole
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).