2-[5-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N,N-diethylacetamide

C15H18Cl2N4O3S2 — CID 22028001

IUPAC2-[5-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cc1nsc(NS(=O)(=O)c2c(C)cc(Cl)cc2Cl)n1
InChIInChI=1S/C15H18Cl2N4O3S2/c1-4-21(5-2)13(22)8-12-18-15(25-19-12)20-26(23,24)14-9(3)6-10(16)7-11(14)17/h6-7H,4-5,8H2,1-3H3,(H,18,19,20)
InChIKeyKTOVNPXUAURLEV-UHFFFAOYSA-N
MW437.37 g/mol
LogP3.37
Rot. Bonds7

About 2-[5-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N,N-diethylacetamide

2-[5-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N,N-diethylacetamide (PubChem CID 22028001) has the molecular formula C15H18Cl2N4O3S2 and a molecular weight of 437.37 g/mol. Its IUPAC name is 2-[5-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[5-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N,N-diethylacetamide
PubChem CID22028001
Molecular FormulaC15H18Cl2N4O3S2
Molecular Weight437.37 g/mol
Exact Mass436.02
IUPAC Name2-[5-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cc1nsc(NS(=O)(=O)c2c(C)cc(Cl)cc2Cl)n1
InChIInChI=1S/C15H18Cl2N4O3S2/c1-4-21(5-2)13(22)8-12-18-15(25-19-12)20-26(23,24)14-9(3)6-10(16)7-11(14)17/h6-7H,4-5,8H2,1-3H3,(H,18,19,20)
InChIKeyKTOVNPXUAURLEV-UHFFFAOYSA-N
XLogP3.37
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[2-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-2-oxoacetate
CID 10137087
2-[2-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-2-oxoacetic acid
CID 87546058
2,4-dichloro-6-methyl-N-[3-[2-(3-oxomorpholin-4-yl)ethyl]-1,2,4-thiadiazol-5-yl]benzenesulfonamide
CID 22027951
N-(5-butyl-4-methyl-1,3-thiazol-2-yl)-2,4-dichloro-6-methylbenzenesulfonamide
CID 10200568
3-chloro-N-[3-[2-(diethylamino)ethyl]-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide;2-[5-[(3-chloro-2-methylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N-methoxy-N-methylacetamide
CID 172777152
2,4-dichloro-N-[4-(2-chloro-6-fluorophenyl)-1,3-thiazol-2-yl]-6-methylbenzenesulfonamide
CID 10138882
2,4-dichloro-6-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 10270918
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,4,6-trichlorobenzenesulfonamide
CID 11177040
2,4-dichloro-6-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-3-yl]benzenesulfonamide
CID 10127500
2,4-dichloro-6-methyl-N-[4-(2-morpholin-4-ylethyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 87545701
N-methyl-2-[5-[(4-phenylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N-propan-2-ylacetamide
CID 22028076
2-[4-methyl-2-[(2,4,6-trichlorophenyl)sulfonylamino]-1,3-thiazol-5-yl]propanoic acid
CID 87500045

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[5-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N,N-diethylacetamide (CID 22028001) is 2-[5-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[5-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[5-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N,N-diethylacetamide is CCN(CC)C(=O)Cc1nsc(NS(=O)(=O)c2c(C)cc(Cl)cc2Cl)n1.
What is the InChIKey of 2-[5-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N,N-diethylacetamide?
The InChIKey is KTOVNPXUAURLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N4O3S2/c1-4-21(5-2)13(22)8-12-18-15(25-19-12)20-26(23,24)14-9(3)6-10(16)7-11(14)17/h6-7H,4-5,8H2,1-3H3,(H,18,19,20).
What are the key properties of 2-[5-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N,N-diethylacetamide?
2-[5-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N,N-diethylacetamide has a molecular weight of 437.37 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N,N-diethylacetamide is sourced from PubChem (CID 22028001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).