2-(benzenesulfonamido)-4-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide

C18H14F3N3O4S2 — CID 16944408

IUPAC2-(benzenesulfonamido)-4-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(NS(=O)(=O)c2ccccc2)sc1C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H14F3N3O4S2/c1-11-15(16(25)23-12-7-9-13(10-8-12)28-18(19,20)21)29-17(22-11)24-30(26,27)14-5-3-2-4-6-14/h2-10H,1H3,(H,22,24)(H,23,25)
InChIKeyJSHIGNAYQLSYPB-UHFFFAOYSA-N
MW457.46 g/mol
LogP4.40
Rot. Bonds6

About 2-(benzenesulfonamido)-4-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide

2-(benzenesulfonamido)-4-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 16944408) has the molecular formula C18H14F3N3O4S2 and a molecular weight of 457.46 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-4-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-4-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID16944408
Molecular FormulaC18H14F3N3O4S2
Molecular Weight457.46 g/mol
Exact Mass457.04
IUPAC Name2-(benzenesulfonamido)-4-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(NS(=O)(=O)c2ccccc2)sc1C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H14F3N3O4S2/c1-11-15(16(25)23-12-7-9-13(10-8-12)28-18(19,20)21)29-17(22-11)24-30(26,27)14-5-3-2-4-6-14/h2-10H,1H3,(H,22,24)(H,23,25)
InChIKeyJSHIGNAYQLSYPB-UHFFFAOYSA-N
XLogP4.40
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.46
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(benzenesulfonamido)-4-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide 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

2-(benzenesulfonamido)-N-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16828747
N-(4-fluorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16802460
2-(benzenesulfonamido)-N-(3-chloro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16944431
2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 16944982
N-(3-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16945056
2-(benzenesulfonamido)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20983476
N-(4-bromophenyl)-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16944549
N-(4-methoxy-3-methylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16945038
4-methyl-2-pyrimidin-2-yl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide
CID 55810916
2-(benzenesulfonamido)-N-(2-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16944395
butyl 4-[[2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carbonyl]amino]benzoate
CID 16944561
2-[(4-chlorophenyl)sulfonylamino]-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 16944691

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-4-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(benzenesulfonamido)-4-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide (CID 16944408) is 2-(benzenesulfonamido)-4-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(benzenesulfonamido)-4-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(benzenesulfonamido)-4-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide is Cc1nc(NS(=O)(=O)c2ccccc2)sc1C(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-(benzenesulfonamido)-4-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is JSHIGNAYQLSYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O4S2/c1-11-15(16(25)23-12-7-9-13(10-8-12)28-18(19,20)21)29-17(22-11)24-30(26,27)14-5-3-2-4-6-14/h2-10H,1H3,(H,22,24)(H,23,25).
What are the key properties of 2-(benzenesulfonamido)-4-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide?
2-(benzenesulfonamido)-4-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 457.46 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-4-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 16944408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).