2-formyl-1,3-benzoxazole-7-sulfonamide

C8H6N2O4S — CID 131547174

IUPAC2-formyl-1,3-benzoxazole-7-sulfonamide
SMILESNS(=O)(=O)c1cccc2nc(C=O)oc12
InChIInChI=1S/C8H6N2O4S/c9-15(12,13)6-3-1-2-5-8(6)14-7(4-11)10-5/h1-4H,(H2,9,12,13)
InChIKeyRYZHTEXKTZNHIR-UHFFFAOYSA-N
MW226.21 g/mol
LogP0.29
Rot. Bonds2

About 2-formyl-1,3-benzoxazole-7-sulfonamide

2-formyl-1,3-benzoxazole-7-sulfonamide (PubChem CID 131547174) has the molecular formula C8H6N2O4S and a molecular weight of 226.21 g/mol. Its IUPAC name is 2-formyl-1,3-benzoxazole-7-sulfonamide.

Molecular Properties

Compound Name2-formyl-1,3-benzoxazole-7-sulfonamide
PubChem CID131547174
Molecular FormulaC8H6N2O4S
Molecular Weight226.21 g/mol
Exact Mass226.00
IUPAC Name2-formyl-1,3-benzoxazole-7-sulfonamide
SMILESNS(=O)(=O)c1cccc2nc(C=O)oc12
InChIInChI=1S/C8H6N2O4S/c9-15(12,13)6-3-1-2-5-8(6)14-7(4-11)10-5/h1-4H,(H2,9,12,13)
InChIKeyRYZHTEXKTZNHIR-UHFFFAOYSA-N
XLogP0.29
TPSA103.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

7-bromo-1,3-benzoxazole-2-carbaldehyde
CID 53408473
7-ethyl-1,3-benzoxazole-2-carbaldehyde
CID 131091388
benzo[g][1,3]benzoxazole-2-carbaldehyde
CID 121009106
2-propan-2-yl-1,3-benzoxazole-7-sulfonyl chloride
CID 83825760
2-chloroquinoline-5-sulfonamide
CID 154295379
azane;naphthalene-1-sulfonamide
CID 174765300
2-iodo-1,3-benzoxazole-4-sulfonamide
CID 130895688
acridine-1-sulfonamide;methane
CID 175223861
5-sulfanylnaphthalene-1-sulfonamide
CID 67168199
6-hydroxy-1,3-benzoxazole-2-carbaldehyde
CID 82415216
4-(2-amino-1,3-benzoxazol-7-yl)benzenesulfonamide
CID 141199449
7-bromo-1,3-benzoxazole-2-sulfonyl chloride
CID 130925383

Frequently Asked Questions

What is the IUPAC name of 2-formyl-1,3-benzoxazole-7-sulfonamide?
The IUPAC name of 2-formyl-1,3-benzoxazole-7-sulfonamide (CID 131547174) is 2-formyl-1,3-benzoxazole-7-sulfonamide.
What is the SMILES notation for 2-formyl-1,3-benzoxazole-7-sulfonamide?
The canonical SMILES for 2-formyl-1,3-benzoxazole-7-sulfonamide is NS(=O)(=O)c1cccc2nc(C=O)oc12.
What is the InChIKey of 2-formyl-1,3-benzoxazole-7-sulfonamide?
The InChIKey is RYZHTEXKTZNHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O4S/c9-15(12,13)6-3-1-2-5-8(6)14-7(4-11)10-5/h1-4H,(H2,9,12,13).
What are the key properties of 2-formyl-1,3-benzoxazole-7-sulfonamide?
2-formyl-1,3-benzoxazole-7-sulfonamide has a molecular weight of 226.21 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formyl-1,3-benzoxazole-7-sulfonamide is sourced from PubChem (CID 131547174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).