2-amino-3H-1,3-benzoxazole-2-sulfonamide

C7H9N3O3S — CID 67147247

IUPAC2-amino-3H-1,3-benzoxazole-2-sulfonamide
SMILESNC1(S(N)(=O)=O)Nc2ccccc2O1
InChIInChI=1S/C7H9N3O3S/c8-7(14(9,11)12)10-5-3-1-2-4-6(5)13-7/h1-4,10H,8H2,(H2,9,11,12)
InChIKeySDCCPSGJFZFNPB-UHFFFAOYSA-N
MW215.23 g/mol
LogP-0.65
Rot. Bonds1

About 2-amino-3H-1,3-benzoxazole-2-sulfonamide

2-amino-3H-1,3-benzoxazole-2-sulfonamide (PubChem CID 67147247) has the molecular formula C7H9N3O3S and a molecular weight of 215.23 g/mol. Its IUPAC name is 2-amino-3H-1,3-benzoxazole-2-sulfonamide.

Molecular Properties

Compound Name2-amino-3H-1,3-benzoxazole-2-sulfonamide
PubChem CID67147247
Molecular FormulaC7H9N3O3S
Molecular Weight215.23 g/mol
Exact Mass215.04
IUPAC Name2-amino-3H-1,3-benzoxazole-2-sulfonamide
SMILESNC1(S(N)(=O)=O)Nc2ccccc2O1
InChIInChI=1S/C7H9N3O3S/c8-7(14(9,11)12)10-5-3-1-2-4-6(5)13-7/h1-4,10H,8H2,(H2,9,11,12)
InChIKeySDCCPSGJFZFNPB-UHFFFAOYSA-N
XLogP-0.65
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3H-1,3-benzoxazole-2-sulfonamide?
The IUPAC name of 2-amino-3H-1,3-benzoxazole-2-sulfonamide (CID 67147247) is 2-amino-3H-1,3-benzoxazole-2-sulfonamide.
What is the SMILES notation for 2-amino-3H-1,3-benzoxazole-2-sulfonamide?
The canonical SMILES for 2-amino-3H-1,3-benzoxazole-2-sulfonamide is NC1(S(N)(=O)=O)Nc2ccccc2O1.
What is the InChIKey of 2-amino-3H-1,3-benzoxazole-2-sulfonamide?
The InChIKey is SDCCPSGJFZFNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3S/c8-7(14(9,11)12)10-5-3-1-2-4-6(5)13-7/h1-4,10H,8H2,(H2,9,11,12).
What are the key properties of 2-amino-3H-1,3-benzoxazole-2-sulfonamide?
2-amino-3H-1,3-benzoxazole-2-sulfonamide has a molecular weight of 215.23 g/mol, XLogP of -0.65, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3H-1,3-benzoxazole-2-sulfonamide is sourced from PubChem (CID 67147247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).