7-(methylamino)-2,1,3-benzoxadiazole-4-sulfonamide

C7H8N4O3S — CID 10656936

IUPAC7-(methylamino)-2,1,3-benzoxadiazole-4-sulfonamide
SMILESCNc1ccc(S(N)(=O)=O)c2nonc12
InChIInChI=1S/C7H8N4O3S/c1-9-4-2-3-5(15(8,12)13)7-6(4)10-14-11-7/h2-3,9H,1H3,(H2,8,12,13)
InChIKeyYKZAIIOWFCIBJQ-UHFFFAOYSA-N
MW228.23 g/mol
LogP-0.09
Rot. Bonds2

About 7-(methylamino)-2,1,3-benzoxadiazole-4-sulfonamide

7-(methylamino)-2,1,3-benzoxadiazole-4-sulfonamide (PubChem CID 10656936) has the molecular formula C7H8N4O3S and a molecular weight of 228.23 g/mol. Its IUPAC name is 7-(methylamino)-2,1,3-benzoxadiazole-4-sulfonamide.

Molecular Properties

Compound Name7-(methylamino)-2,1,3-benzoxadiazole-4-sulfonamide
PubChem CID10656936
Molecular FormulaC7H8N4O3S
Molecular Weight228.23 g/mol
Exact Mass228.03
IUPAC Name7-(methylamino)-2,1,3-benzoxadiazole-4-sulfonamide
SMILESCNc1ccc(S(N)(=O)=O)c2nonc12
InChIInChI=1S/C7H8N4O3S/c1-9-4-2-3-5(15(8,12)13)7-6(4)10-14-11-7/h2-3,9H,1H3,(H2,8,12,13)
InChIKeyYKZAIIOWFCIBJQ-UHFFFAOYSA-N
XLogP-0.09
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(methylamino)-2,1,3-benzoxadiazole-4-sulfonamide?
The IUPAC name of 7-(methylamino)-2,1,3-benzoxadiazole-4-sulfonamide (CID 10656936) is 7-(methylamino)-2,1,3-benzoxadiazole-4-sulfonamide.
What is the SMILES notation for 7-(methylamino)-2,1,3-benzoxadiazole-4-sulfonamide?
The canonical SMILES for 7-(methylamino)-2,1,3-benzoxadiazole-4-sulfonamide is CNc1ccc(S(N)(=O)=O)c2nonc12.
What is the InChIKey of 7-(methylamino)-2,1,3-benzoxadiazole-4-sulfonamide?
The InChIKey is YKZAIIOWFCIBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O3S/c1-9-4-2-3-5(15(8,12)13)7-6(4)10-14-11-7/h2-3,9H,1H3,(H2,8,12,13).
What are the key properties of 7-(methylamino)-2,1,3-benzoxadiazole-4-sulfonamide?
7-(methylamino)-2,1,3-benzoxadiazole-4-sulfonamide has a molecular weight of 228.23 g/mol, XLogP of -0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methylamino)-2,1,3-benzoxadiazole-4-sulfonamide is sourced from PubChem (CID 10656936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).