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

C13H14Cl2N2O2S2 — CID 110395152

IUPAC3,4-dichloro-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
SMILESCc1nc(C)c(CCNS(=O)(=O)c2ccc(Cl)c(Cl)c2)s1
InChIInChI=1S/C13H14Cl2N2O2S2/c1-8-13(20-9(2)17-8)5-6-16-21(18,19)10-3-4-11(14)12(15)7-10/h3-4,7,16H,5-6H2,1-2H3
InChIKeyZLYCTUXUKXIUTH-UHFFFAOYSA-N
MW365.31 g/mol
LogP3.59
Rot. Bonds5

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

3,4-dichloro-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide (PubChem CID 110395152) has the molecular formula C13H14Cl2N2O2S2 and a molecular weight of 365.31 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
PubChem CID110395152
Molecular FormulaC13H14Cl2N2O2S2
Molecular Weight365.31 g/mol
Exact Mass363.99
IUPAC Name3,4-dichloro-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
SMILESCc1nc(C)c(CCNS(=O)(=O)c2ccc(Cl)c(Cl)c2)s1
InChIInChI=1S/C13H14Cl2N2O2S2/c1-8-13(20-9(2)17-8)5-6-16-21(18,19)10-3-4-11(14)12(15)7-10/h3-4,7,16H,5-6H2,1-2H3
InChIKeyZLYCTUXUKXIUTH-UHFFFAOYSA-N
XLogP3.59
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.31
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetyl-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
CID 110395197
3,4-dichloro-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 110395079
3,4-dichloro-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 110359442
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylsulfanylbenzenesulfonamide
CID 86817582
3,4-dichloro-N-(2-fluoroethyl)benzenesulfonamide
CID 87814655
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-ethylbenzenesulfonamide
CID 20965733
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 18563024
N-(2-aminoethyl)-3,4-dichlorobenzenesulfonamide;hydrochloride
CID 119960311
3,4-dichloro-N-[2-(1,3-thiazol-5-yl)ethyl]benzenesulfonamide
CID 110717587
4-fluoro-3-methyl-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzenesulfonamide
CID 7503113
N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3,4-dimethylbenzenesulfonamide
CID 7202350
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methylbenzenesulfonamide
CID 121122925

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide (CID 110395152) is 3,4-dichloro-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide is Cc1nc(C)c(CCNS(=O)(=O)c2ccc(Cl)c(Cl)c2)s1.
What is the InChIKey of 3,4-dichloro-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide?
The InChIKey is ZLYCTUXUKXIUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O2S2/c1-8-13(20-9(2)17-8)5-6-16-21(18,19)10-3-4-11(14)12(15)7-10/h3-4,7,16H,5-6H2,1-2H3.
What are the key properties of 3,4-dichloro-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide?
3,4-dichloro-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide has a molecular weight of 365.31 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110395152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).