4-chloro-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)benzenesulfonamide

C12H10ClF3N2O2S3 — CID 86883315

IUPAC4-chloro-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCSc1sc(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)nc1C
InChIInChI=1S/C12H10ClF3N2O2S3/c1-6-10(21-2)22-11(17-6)18-23(19,20)9-4-3-7(13)5-8(9)12(14,15)16/h3-5H,1-2H3,(H,17,18)
InChIKeyRTUKHOMNEGVGAH-UHFFFAOYSA-N
MW402.87 g/mol
LogP4.65
Rot. Bonds4

About 4-chloro-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)benzenesulfonamide

4-chloro-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 86883315) has the molecular formula C12H10ClF3N2O2S3 and a molecular weight of 402.87 g/mol. Its IUPAC name is 4-chloro-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID86883315
Molecular FormulaC12H10ClF3N2O2S3
Molecular Weight402.87 g/mol
Exact Mass401.95
IUPAC Name4-chloro-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCSc1sc(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)nc1C
InChIInChI=1S/C12H10ClF3N2O2S3/c1-6-10(21-2)22-11(17-6)18-23(19,20)9-4-3-7(13)5-8(9)12(14,15)16/h3-5H,1-2H3,(H,17,18)
InChIKeyRTUKHOMNEGVGAH-UHFFFAOYSA-N
XLogP4.65
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.87
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(2,4-difluorophenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 2506765
4-chloro-2-(trifluoromethyl)benzenesulfonohydrazide
CID 43476927
4-chloro-2-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 78787079
4-chloro-N-(3,5-dimethoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 26970163
4-acetyl-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 167825976
4-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
CID 25335042
4-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfamoyl]-3-fluorobenzoic acid
CID 79177691
methyl 3-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonylamino]-4-methylbenzoate
CID 17480007
4-chloro-N-(2-methylprop-2-enyl)-2-(trifluoromethyl)benzenesulfonamide
CID 114616396
N-[1-(aminomethyl)cyclopentyl]-4-chloro-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119980855
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 60911752
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-chloro-2-(trifluoromethyl)benzenesulfonamide
CID 2474429

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)benzenesulfonamide (CID 86883315) is 4-chloro-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)benzenesulfonamide is CSc1sc(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)nc1C.
What is the InChIKey of 4-chloro-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is RTUKHOMNEGVGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3N2O2S3/c1-6-10(21-2)22-11(17-6)18-23(19,20)9-4-3-7(13)5-8(9)12(14,15)16/h3-5H,1-2H3,(H,17,18).
What are the key properties of 4-chloro-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 402.87 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 86883315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).