2-(hydroxymethyl)-1,3-benzoxazole-6-sulfonamide

C8H8N2O4S — CID 118848958

IUPAC2-(hydroxymethyl)-1,3-benzoxazole-6-sulfonamide
SMILESNS(=O)(=O)c1ccc2nc(CO)oc2c1
InChIInChI=1S/C8H8N2O4S/c9-15(12,13)5-1-2-6-7(3-5)14-8(4-11)10-6/h1-3,11H,4H2,(H2,9,12,13)
InChIKeyGCEFHGFVSGOLSJ-UHFFFAOYSA-N
MW228.23 g/mol
LogP-0.03
Rot. Bonds2

About 2-(hydroxymethyl)-1,3-benzoxazole-6-sulfonamide

2-(hydroxymethyl)-1,3-benzoxazole-6-sulfonamide (PubChem CID 118848958) has the molecular formula C8H8N2O4S and a molecular weight of 228.23 g/mol. Its IUPAC name is 2-(hydroxymethyl)-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-1,3-benzoxazole-6-sulfonamide
PubChem CID118848958
Molecular FormulaC8H8N2O4S
Molecular Weight228.23 g/mol
Exact Mass228.02
IUPAC Name2-(hydroxymethyl)-1,3-benzoxazole-6-sulfonamide
SMILESNS(=O)(=O)c1ccc2nc(CO)oc2c1
InChIInChI=1S/C8H8N2O4S/c9-15(12,13)5-1-2-6-7(3-5)14-8(4-11)10-6/h1-3,11H,4H2,(H2,9,12,13)
InChIKeyGCEFHGFVSGOLSJ-UHFFFAOYSA-N
XLogP-0.03
TPSA106.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(6-methyl-1,3-benzoxazol-2-yl)methanol
CID 83383747
(6-bromo-1,3-benzoxazol-2-yl)methanol
CID 119031268
(6-methoxy-1,3-benzoxazol-2-yl)methanol
CID 130837155
1-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide
CID 71971133
2-(2-methylpropyl)-1,3-benzoxazole-6-sulfonyl chloride
CID 82358036
2-butyl-1,3-benzoxazole-6-sulfonyl chloride
CID 82358031
4-[2-(hydroxymethyl)-5-phenyl-1,3-oxazol-4-yl]benzenesulfonamide
CID 18701527
2-[(4-fluorophenyl)sulfonylmethyl]-1,3-benzoxazol-6-amine
CID 79998194
(6-amino-5-chloro-1,3-benzoxazol-2-yl)methanol
CID 91636106
2-methyl-1,3-benzoxazole-5-sulfonamide
CID 43173624
2-(benzenesulfonylmethyl)-1,3-benzoxazol-6-amine
CID 79999527
3-[(2-methyl-1,3-benzoxazol-6-yl)sulfonyl]propan-1-ol
CID 116853227

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of 2-(hydroxymethyl)-1,3-benzoxazole-6-sulfonamide (CID 118848958) is 2-(hydroxymethyl)-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for 2-(hydroxymethyl)-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for 2-(hydroxymethyl)-1,3-benzoxazole-6-sulfonamide is NS(=O)(=O)c1ccc2nc(CO)oc2c1.
What is the InChIKey of 2-(hydroxymethyl)-1,3-benzoxazole-6-sulfonamide?
The InChIKey is GCEFHGFVSGOLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O4S/c9-15(12,13)5-1-2-6-7(3-5)14-8(4-11)10-6/h1-3,11H,4H2,(H2,9,12,13).
What are the key properties of 2-(hydroxymethyl)-1,3-benzoxazole-6-sulfonamide?
2-(hydroxymethyl)-1,3-benzoxazole-6-sulfonamide has a molecular weight of 228.23 g/mol, XLogP of -0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 118848958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).