4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide

C18H13ClF3N3O3S2 — CID 112769091

IUPAC4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(NCC(F)(F)F)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1
InChIInChI=1S/C18H13ClF3N3O3S2/c19-13-5-1-11(2-6-13)15-9-29-17(24-15)25-30(27,28)14-7-3-12(4-8-14)16(26)23-10-18(20,21)22/h1-9H,10H2,(H,23,26)(H,24,25)
InChIKeyZOZKRUNBWUZOOC-UHFFFAOYSA-N
MW475.90 g/mol
LogP4.56
Rot. Bonds6

About 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide

4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 112769091) has the molecular formula C18H13ClF3N3O3S2 and a molecular weight of 475.90 g/mol. Its IUPAC name is 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID112769091
Molecular FormulaC18H13ClF3N3O3S2
Molecular Weight475.90 g/mol
Exact Mass475.00
IUPAC Name4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(NCC(F)(F)F)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1
InChIInChI=1S/C18H13ClF3N3O3S2/c19-13-5-1-11(2-6-13)15-9-29-17(24-15)25-30(27,28)14-7-3-12(4-8-14)16(26)23-10-18(20,21)22/h1-9H,10H2,(H,23,26)(H,24,25)
InChIKeyZOZKRUNBWUZOOC-UHFFFAOYSA-N
XLogP4.56
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.90
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfamoyl]benzoate
CID 154749823
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-chlorobenzenesulfonamide
CID 91966356
4-(benzenesulfonamido)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 121043565
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethoxy)benzamide
CID 4660471
4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 10222134
4-[(2-fluorophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 37064232
4-[[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 112812064
4-(ethylsulfamoyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 78828085
4-[2-(2,2,2-trifluoroethylamino)-1,3-thiazol-4-yl]benzenesulfonamide
CID 51107739
4-chloro-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2332435
4-chloro-N-[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 3009168
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide
CID 3542120

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide (CID 112769091) is 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide is O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1.
What is the InChIKey of 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is ZOZKRUNBWUZOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF3N3O3S2/c19-13-5-1-11(2-6-13)15-9-29-17(24-15)25-30(27,28)14-7-3-12(4-8-14)16(26)23-10-18(20,21)22/h1-9H,10H2,(H,23,26)(H,24,25).
What are the key properties of 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 475.90 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 112769091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).