2-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methyl-1,3-thiazole-5-sulfonamide

C12H12Cl2N2O2S2 — CID 61046860

IUPAC2-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methyl-1,3-thiazole-5-sulfonamide
SMILESCC(c1ccccc1Cl)N(C)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C12H12Cl2N2O2S2/c1-8(9-5-3-4-6-10(9)13)16(2)20(17,18)11-7-15-12(14)19-11/h3-8H,1-2H3
InChIKeyALXSJIQCDYSYNQ-UHFFFAOYSA-N
MW351.28 g/mol
LogP3.83
Rot. Bonds4

About 2-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methyl-1,3-thiazole-5-sulfonamide

2-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 61046860) has the molecular formula C12H12Cl2N2O2S2 and a molecular weight of 351.28 g/mol. Its IUPAC name is 2-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methyl-1,3-thiazole-5-sulfonamide
PubChem CID61046860
Molecular FormulaC12H12Cl2N2O2S2
Molecular Weight351.28 g/mol
Exact Mass349.97
IUPAC Name2-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methyl-1,3-thiazole-5-sulfonamide
SMILESCC(c1ccccc1Cl)N(C)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C12H12Cl2N2O2S2/c1-8(9-5-3-4-6-10(9)13)16(2)20(17,18)11-7-15-12(14)19-11/h3-8H,1-2H3
InChIKeyALXSJIQCDYSYNQ-UHFFFAOYSA-N
XLogP3.83
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.28
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-chlorophenyl)ethyl]-5-cyano-N-methylthiophene-2-sulfonamide
CID 106268141
2-chloro-N-methyl-N-phenyl-1,3-thiazole-5-sulfonamide
CID 43427433
2-chloro-N-methyl-N-pentan-3-yl-1,3-thiazole-5-sulfonamide
CID 43571195
2-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-3-sulfonamide
CID 61047048
6-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-3-sulfonamide
CID 62980326
2-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazole-5-sulfonamide
CID 79485930
2-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-4-sulfonamide
CID 62980507
N-[1-(2-chlorophenyl)ethyl]-N-methyl-1H-pyrazole-5-sulfonamide
CID 102692112
2-chloro-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-sulfonamide
CID 61044874
2-chloro-N-methyl-N-pyridin-4-yl-1,3-thiazole-5-sulfonamide
CID 106934935
3-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzenesulfonamide
CID 61059692
5-bromo-N-[1-(2-chlorophenyl)ethyl]-N,3-dimethyltriazole-4-sulfonamide
CID 106467728

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methyl-1,3-thiazole-5-sulfonamide (CID 61046860) is 2-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methyl-1,3-thiazole-5-sulfonamide is CC(c1ccccc1Cl)N(C)S(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is ALXSJIQCDYSYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O2S2/c1-8(9-5-3-4-6-10(9)13)16(2)20(17,18)11-7-15-12(14)19-11/h3-8H,1-2H3.
What are the key properties of 2-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methyl-1,3-thiazole-5-sulfonamide?
2-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 351.28 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61046860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).