N-methyl-2,1,3-benzothiadiazole-4-sulfonamide

C7H7N3O2S2 — CID 660674

IUPACN-methyl-2,1,3-benzothiadiazole-4-sulfonamide
SMILESCNS(=O)(=O)c1cccc2nsnc12
InChIInChI=1S/C7H7N3O2S2/c1-8-14(11,12)6-4-2-3-5-7(6)10-13-9-5/h2-4,8H,1H3
InChIKeyUSWJVTSPGWITIY-UHFFFAOYSA-N
MW229.29 g/mol
LogP0.60
Rot. Bonds2

About N-methyl-2,1,3-benzothiadiazole-4-sulfonamide

N-methyl-2,1,3-benzothiadiazole-4-sulfonamide (PubChem CID 660674) has the molecular formula C7H7N3O2S2 and a molecular weight of 229.29 g/mol. Its IUPAC name is N-methyl-2,1,3-benzothiadiazole-4-sulfonamide.

Molecular Properties

Compound NameN-methyl-2,1,3-benzothiadiazole-4-sulfonamide
PubChem CID660674
Molecular FormulaC7H7N3O2S2
Molecular Weight229.29 g/mol
Exact Mass229.00
IUPAC NameN-methyl-2,1,3-benzothiadiazole-4-sulfonamide
SMILESCNS(=O)(=O)c1cccc2nsnc12
InChIInChI=1S/C7H7N3O2S2/c1-8-14(11,12)6-4-2-3-5-7(6)10-13-9-5/h2-4,8H,1H3
InChIKeyUSWJVTSPGWITIY-UHFFFAOYSA-N
XLogP0.60
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(Piperazine-1-sulfonyl)-2,1,3-benzothiadiazole
CID 931485
4-(Piperidine-1-sulfonyl)-2,1,3-benzothiadiazole
CID 558425
N-(2-ethylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 3626162
N-phenyl-2,1,3-benzothiadiazole-4-sulfonamide
CID 3585479
N-(2,5-difluorophenyl)-2,1,3-benzoxadiazole-4-sulfonamide
CID 6465235
N-(2-methylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 756494
2,1,3-Benzothiadiazole, 4-chlorosulfonyl-
CID 2735459
2,1,3-Benzothiadiazole-4-sulfonamide
CID 1382090
N-cyclohexyl-2,1,3-benzothiadiazole-4-sulfonamide
CID 692311
N-(4-fluorophenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 716427
N-(4-chlorophenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 756492
4-(4-Methylpiperazin-1-yl)sulfonyl-2,1,3-benzothiadiazole
CID 757158

Frequently Asked Questions

What is the IUPAC name of N-methyl-2,1,3-benzothiadiazole-4-sulfonamide?
The IUPAC name of N-methyl-2,1,3-benzothiadiazole-4-sulfonamide (CID 660674) is N-methyl-2,1,3-benzothiadiazole-4-sulfonamide.
What is the SMILES notation for N-methyl-2,1,3-benzothiadiazole-4-sulfonamide?
The canonical SMILES for N-methyl-2,1,3-benzothiadiazole-4-sulfonamide is CNS(=O)(=O)c1cccc2nsnc12.
What is the InChIKey of N-methyl-2,1,3-benzothiadiazole-4-sulfonamide?
The InChIKey is USWJVTSPGWITIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2S2/c1-8-14(11,12)6-4-2-3-5-7(6)10-13-9-5/h2-4,8H,1H3.
What are the key properties of N-methyl-2,1,3-benzothiadiazole-4-sulfonamide?
N-methyl-2,1,3-benzothiadiazole-4-sulfonamide has a molecular weight of 229.29 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2,1,3-benzothiadiazole-4-sulfonamide is sourced from PubChem (CID 660674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).