2-amino-1,3-benzothiazole-6-sulfonamide

C7H7N3O2S2 — CID 734502

IUPAC2-amino-1,3-benzothiazole-6-sulfonamide
SMILESNc1nc2ccc(S(N)(=O)=O)cc2s1
InChIInChI=1S/C7H7N3O2S2/c8-7-10-5-2-1-4(14(9,11)12)3-6(5)13-7/h1-3H,(H2,8,10)(H2,9,11,12)
InChIKeyCGJUKQLMOOVGOC-UHFFFAOYSA-N
MW229.29 g/mol
LogP0.53
Rot. Bonds1

About 2-amino-1,3-benzothiazole-6-sulfonamide

2-amino-1,3-benzothiazole-6-sulfonamide (PubChem CID 734502) has the molecular formula C7H7N3O2S2 and a molecular weight of 229.29 g/mol. Its IUPAC name is 2-amino-1,3-benzothiazole-6-sulfonamide.

Molecular Properties

Compound Name2-amino-1,3-benzothiazole-6-sulfonamide
PubChem CID734502
Molecular FormulaC7H7N3O2S2
Molecular Weight229.29 g/mol
Exact Mass229.00
IUPAC Name2-amino-1,3-benzothiazole-6-sulfonamide
SMILESNc1nc2ccc(S(N)(=O)=O)cc2s1
InChIInChI=1S/C7H7N3O2S2/c8-7-10-5-2-1-4(14(9,11)12)3-6(5)13-7/h1-3H,(H2,8,10)(H2,9,11,12)
InChIKeyCGJUKQLMOOVGOC-UHFFFAOYSA-N
XLogP0.53
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1,3-benzothiazole-6-sulfonamide?
The IUPAC name of 2-amino-1,3-benzothiazole-6-sulfonamide (CID 734502) is 2-amino-1,3-benzothiazole-6-sulfonamide.
What is the SMILES notation for 2-amino-1,3-benzothiazole-6-sulfonamide?
The canonical SMILES for 2-amino-1,3-benzothiazole-6-sulfonamide is Nc1nc2ccc(S(N)(=O)=O)cc2s1.
What is the InChIKey of 2-amino-1,3-benzothiazole-6-sulfonamide?
The InChIKey is CGJUKQLMOOVGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2S2/c8-7-10-5-2-1-4(14(9,11)12)3-6(5)13-7/h1-3H,(H2,8,10)(H2,9,11,12).
What are the key properties of 2-amino-1,3-benzothiazole-6-sulfonamide?
2-amino-1,3-benzothiazole-6-sulfonamide has a molecular weight of 229.29 g/mol, XLogP of 0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,3-benzothiazole-6-sulfonamide is sourced from PubChem (CID 734502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).