7-(dimethylamino)-N-(2-methoxyethyl)-N-methyl-2,1,3-benzothiadiazole-4-sulfonamide

C12H18N4O3S2 — CID 157149073

IUPAC7-(dimethylamino)-N-(2-methoxyethyl)-N-methyl-2,1,3-benzothiadiazole-4-sulfonamide
SMILESCOCCN(C)S(=O)(=O)c1ccc(N(C)C)c2nsnc12
InChIInChI=1S/C12H18N4O3S2/c1-15(2)9-5-6-10(12-11(9)13-20-14-12)21(17,18)16(3)7-8-19-4/h5-6H,7-8H2,1-4H3
InChIKeyDRPIHHBUBYTZHJ-UHFFFAOYSA-N
MW330.44 g/mol
LogP1.02
Rot. Bonds6

About 7-(dimethylamino)-N-(2-methoxyethyl)-N-methyl-2,1,3-benzothiadiazole-4-sulfonamide

7-(dimethylamino)-N-(2-methoxyethyl)-N-methyl-2,1,3-benzothiadiazole-4-sulfonamide (PubChem CID 157149073) has the molecular formula C12H18N4O3S2 and a molecular weight of 330.44 g/mol. Its IUPAC name is 7-(dimethylamino)-N-(2-methoxyethyl)-N-methyl-2,1,3-benzothiadiazole-4-sulfonamide.

Molecular Properties

Compound Name7-(dimethylamino)-N-(2-methoxyethyl)-N-methyl-2,1,3-benzothiadiazole-4-sulfonamide
PubChem CID157149073
Molecular FormulaC12H18N4O3S2
Molecular Weight330.44 g/mol
Exact Mass330.08
IUPAC Name7-(dimethylamino)-N-(2-methoxyethyl)-N-methyl-2,1,3-benzothiadiazole-4-sulfonamide
SMILESCOCCN(C)S(=O)(=O)c1ccc(N(C)C)c2nsnc12
InChIInChI=1S/C12H18N4O3S2/c1-15(2)9-5-6-10(12-11(9)13-20-14-12)21(17,18)16(3)7-8-19-4/h5-6H,7-8H2,1-4H3
InChIKeyDRPIHHBUBYTZHJ-UHFFFAOYSA-N
XLogP1.02
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2,4-difluoro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 74225327
2,4-dibromo-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 47305772
N-methyl-N-[2-(4-methylphenoxy)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 46633675
2-amino-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 61125296
4-bromo-2-chloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 61060615
methyl 3-[2-methoxyethyl(methyl)sulfamoyl]thiophene-2-carboxylate
CID 3742759
N-(2-methoxyethyl)-N-methyl-2-nitrobenzenesulfonamide
CID 47306069
5-chloro-N-(2-methoxyethyl)-N-methylthiophene-2-sulfonamide
CID 74225766
2-N-(2-methoxyethyl)-2-N-methyl-1-N-pyridin-3-ylbenzene-1,2-disulfonamide
CID 122152668
5-amino-N-(2-methoxyethyl)-N-methyl-1H-indole-3-sulfonamide
CID 64853043
5-amino-2-ethoxy-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 61428184
N-(2-methoxyethyl)-N-(thiolan-3-yl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 47027449

Frequently Asked Questions

What is the IUPAC name of 7-(dimethylamino)-N-(2-methoxyethyl)-N-methyl-2,1,3-benzothiadiazole-4-sulfonamide?
The IUPAC name of 7-(dimethylamino)-N-(2-methoxyethyl)-N-methyl-2,1,3-benzothiadiazole-4-sulfonamide (CID 157149073) is 7-(dimethylamino)-N-(2-methoxyethyl)-N-methyl-2,1,3-benzothiadiazole-4-sulfonamide.
What is the SMILES notation for 7-(dimethylamino)-N-(2-methoxyethyl)-N-methyl-2,1,3-benzothiadiazole-4-sulfonamide?
The canonical SMILES for 7-(dimethylamino)-N-(2-methoxyethyl)-N-methyl-2,1,3-benzothiadiazole-4-sulfonamide is COCCN(C)S(=O)(=O)c1ccc(N(C)C)c2nsnc12.
What is the InChIKey of 7-(dimethylamino)-N-(2-methoxyethyl)-N-methyl-2,1,3-benzothiadiazole-4-sulfonamide?
The InChIKey is DRPIHHBUBYTZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S2/c1-15(2)9-5-6-10(12-11(9)13-20-14-12)21(17,18)16(3)7-8-19-4/h5-6H,7-8H2,1-4H3.
What are the key properties of 7-(dimethylamino)-N-(2-methoxyethyl)-N-methyl-2,1,3-benzothiadiazole-4-sulfonamide?
7-(dimethylamino)-N-(2-methoxyethyl)-N-methyl-2,1,3-benzothiadiazole-4-sulfonamide has a molecular weight of 330.44 g/mol, XLogP of 1.02, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethylamino)-N-(2-methoxyethyl)-N-methyl-2,1,3-benzothiadiazole-4-sulfonamide is sourced from PubChem (CID 157149073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).