2,4-dichloro-N-[4-methyl-5-(2,2,2-trichloroethyl)-1,3-thiazol-2-yl]benzenesulfonamide

C12H9Cl5N2O2S2 — CID 171344784

IUPAC2,4-dichloro-N-[4-methyl-5-(2,2,2-trichloroethyl)-1,3-thiazol-2-yl]benzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2ccc(Cl)cc2Cl)sc1CC(Cl)(Cl)Cl
InChIInChI=1S/C12H9Cl5N2O2S2/c1-6-9(5-12(15,16)17)22-11(18-6)19-23(20,21)10-3-2-7(13)4-8(10)14/h2-4H,5H2,1H3,(H,18,19)
InChIKeyWPTXLBULOAYVJZ-UHFFFAOYSA-N
MW454.62 g/mol
LogP5.47
Rot. Bonds4

About 2,4-dichloro-N-[4-methyl-5-(2,2,2-trichloroethyl)-1,3-thiazol-2-yl]benzenesulfonamide

2,4-dichloro-N-[4-methyl-5-(2,2,2-trichloroethyl)-1,3-thiazol-2-yl]benzenesulfonamide (PubChem CID 171344784) has the molecular formula C12H9Cl5N2O2S2 and a molecular weight of 454.62 g/mol. Its IUPAC name is 2,4-dichloro-N-[4-methyl-5-(2,2,2-trichloroethyl)-1,3-thiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-[4-methyl-5-(2,2,2-trichloroethyl)-1,3-thiazol-2-yl]benzenesulfonamide
PubChem CID171344784
Molecular FormulaC12H9Cl5N2O2S2
Molecular Weight454.62 g/mol
Exact Mass451.85
IUPAC Name2,4-dichloro-N-[4-methyl-5-(2,2,2-trichloroethyl)-1,3-thiazol-2-yl]benzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2ccc(Cl)cc2Cl)sc1CC(Cl)(Cl)Cl
InChIInChI=1S/C12H9Cl5N2O2S2/c1-6-9(5-12(15,16)17)22-11(18-6)19-23(20,21)10-3-2-7(13)4-8(10)14/h2-4H,5H2,1H3,(H,18,19)
InChIKeyWPTXLBULOAYVJZ-UHFFFAOYSA-N
XLogP5.47
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.62
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2,4-dichloro-N-[4-methyl-5-(2,2,2-trichloroethyl)-1,3-thiazol-2-yl]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

4-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 847131
4-methyl-N-[4-methyl-5-(2,2,2-trichloroethyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 21914680
3-chloro-4-fluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 4465851
2,4-dichloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-fluorobenzenesulfonamide
CID 99793690
3-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide
CID 110759323
5-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluorobenzenesulfonamide
CID 110759410
2-chloro-4-fluoro-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzenesulfonamide
CID 112813689
2,5-dichloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 1078750
N-(4-tert-butyl-1,3-thiazol-2-yl)-4-chlorobenzenesulfonamide
CID 2805100
N-(4,5-Dimethyl-2-thiazolyl)benzenesulfonamide
CID 5205435
3-Chloro-N-(5-ethyl-4-methyl-1,3-thiazol-2-yl)-2-methylbenzenesulfonamide
CID 9880612
N-(5-butyl-4-methyl-1,3-thiazol-2-yl)-2,4-dichloro-6-methylbenzenesulfonamide
CID 10200568

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[4-methyl-5-(2,2,2-trichloroethyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-[4-methyl-5-(2,2,2-trichloroethyl)-1,3-thiazol-2-yl]benzenesulfonamide (CID 171344784) is 2,4-dichloro-N-[4-methyl-5-(2,2,2-trichloroethyl)-1,3-thiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-[4-methyl-5-(2,2,2-trichloroethyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-[4-methyl-5-(2,2,2-trichloroethyl)-1,3-thiazol-2-yl]benzenesulfonamide is Cc1nc(NS(=O)(=O)c2ccc(Cl)cc2Cl)sc1CC(Cl)(Cl)Cl.
What is the InChIKey of 2,4-dichloro-N-[4-methyl-5-(2,2,2-trichloroethyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The InChIKey is WPTXLBULOAYVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl5N2O2S2/c1-6-9(5-12(15,16)17)22-11(18-6)19-23(20,21)10-3-2-7(13)4-8(10)14/h2-4H,5H2,1H3,(H,18,19).
What are the key properties of 2,4-dichloro-N-[4-methyl-5-(2,2,2-trichloroethyl)-1,3-thiazol-2-yl]benzenesulfonamide?
2,4-dichloro-N-[4-methyl-5-(2,2,2-trichloroethyl)-1,3-thiazol-2-yl]benzenesulfonamide has a molecular weight of 454.62 g/mol, XLogP of 5.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[4-methyl-5-(2,2,2-trichloroethyl)-1,3-thiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 171344784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).