N-methyl-N-[2-(4-methylphenoxy)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide

C16H17N3O3S2 — CID 46633675

IUPACN-methyl-N-[2-(4-methylphenoxy)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide
SMILESCc1ccc(OCCN(C)S(=O)(=O)c2cccc3nsnc23)cc1
InChIInChI=1S/C16H17N3O3S2/c1-12-6-8-13(9-7-12)22-11-10-19(2)24(20,21)15-5-3-4-14-16(15)18-23-17-14/h3-9H,10-11H2,1-2H3
InChIKeyZVMMTIZNOQJMMG-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.70
Rot. Bonds6

About N-methyl-N-[2-(4-methylphenoxy)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide

N-methyl-N-[2-(4-methylphenoxy)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide (PubChem CID 46633675) has the molecular formula C16H17N3O3S2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-methyl-N-[2-(4-methylphenoxy)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-(4-methylphenoxy)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide
PubChem CID46633675
Molecular FormulaC16H17N3O3S2
Molecular Weight363.46 g/mol
Exact Mass363.07
IUPAC NameN-methyl-N-[2-(4-methylphenoxy)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide
SMILESCc1ccc(OCCN(C)S(=O)(=O)c2cccc3nsnc23)cc1
InChIInChI=1S/C16H17N3O3S2/c1-12-6-8-13(9-7-12)22-11-10-19(2)24(20,21)15-5-3-4-14-16(15)18-23-17-14/h3-9H,10-11H2,1-2H3
InChIKeyZVMMTIZNOQJMMG-UHFFFAOYSA-N
XLogP2.70
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-nitrobenzenesulfonamide
CID 26544797
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2,1,3-benzothiadiazole-4-sulfonamide
CID 61395259
N-[2-(azepan-1-yl)-2-oxoethyl]-N-methyl-2,1,3-benzothiadiazole-4-sulfonamide
CID 20856851
4-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide
CID 26057393
7-(dimethylamino)-N-(2-methoxyethyl)-N-methyl-2,1,3-benzothiadiazole-4-sulfonamide
CID 157149073
2,3-dichloro-N-methyl-N-(2-phenoxyethyl)benzenesulfonamide
CID 2439982
2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(4-ethylphenyl)acetamide
CID 20856847
3-bromo-N-methyl-N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide
CID 61074028
N-methyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 20856982
2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-[(4-chlorophenyl)methyl]acetamide
CID 3239649
4-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide
CID 61300193
2,1,3-benzothiadiazol-4-ylsulfonyl-(2,5-diethoxyphenyl)azanide
CID 4568733

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-methylphenoxy)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide?
The IUPAC name of N-methyl-N-[2-(4-methylphenoxy)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide (CID 46633675) is N-methyl-N-[2-(4-methylphenoxy)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide.
What is the SMILES notation for N-methyl-N-[2-(4-methylphenoxy)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide?
The canonical SMILES for N-methyl-N-[2-(4-methylphenoxy)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide is Cc1ccc(OCCN(C)S(=O)(=O)c2cccc3nsnc23)cc1.
What is the InChIKey of N-methyl-N-[2-(4-methylphenoxy)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide?
The InChIKey is ZVMMTIZNOQJMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S2/c1-12-6-8-13(9-7-12)22-11-10-19(2)24(20,21)15-5-3-4-14-16(15)18-23-17-14/h3-9H,10-11H2,1-2H3.
What are the key properties of N-methyl-N-[2-(4-methylphenoxy)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide?
N-methyl-N-[2-(4-methylphenoxy)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide has a molecular weight of 363.46 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-methylphenoxy)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide is sourced from PubChem (CID 46633675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).