2-oxo-N-(oxolan-3-yl)-3H-1,3-benzoxazole-6-sulfonamide

C11H12N2O5S — CID 110868860

IUPAC2-oxo-N-(oxolan-3-yl)-3H-1,3-benzoxazole-6-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)NC3CCOC3)cc2o1
InChIInChI=1S/C11H12N2O5S/c14-11-12-9-2-1-8(5-10(9)18-11)19(15,16)13-7-3-4-17-6-7/h1-2,5,7,13H,3-4,6H2,(H,12,14)
InChIKeySYPFULANRHYVPG-UHFFFAOYSA-N
MW284.29 g/mol
LogP0.19
Rot. Bonds3

About 2-oxo-N-(oxolan-3-yl)-3H-1,3-benzoxazole-6-sulfonamide

2-oxo-N-(oxolan-3-yl)-3H-1,3-benzoxazole-6-sulfonamide (PubChem CID 110868860) has the molecular formula C11H12N2O5S and a molecular weight of 284.29 g/mol. Its IUPAC name is 2-oxo-N-(oxolan-3-yl)-3H-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound Name2-oxo-N-(oxolan-3-yl)-3H-1,3-benzoxazole-6-sulfonamide
PubChem CID110868860
Molecular FormulaC11H12N2O5S
Molecular Weight284.29 g/mol
Exact Mass284.05
IUPAC Name2-oxo-N-(oxolan-3-yl)-3H-1,3-benzoxazole-6-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)NC3CCOC3)cc2o1
InChIInChI=1S/C11H12N2O5S/c14-11-12-9-2-1-8(5-10(9)18-11)19(15,16)13-7-3-4-17-6-7/h1-2,5,7,13H,3-4,6H2,(H,12,14)
InChIKeySYPFULANRHYVPG-UHFFFAOYSA-N
XLogP0.19
TPSA101.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]benzamide
CID 46680383
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 108783100
N-(3-fluorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 24686498
1-oxo-N-(oxolan-3-yl)-3,4-dihydro-2H-isoquinoline-7-sulfonamide
CID 126783536
N-(3-cyclopentyloxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 35547980
3-hydroxy-N-(oxolan-3-yl)benzenesulfonamide
CID 81258676
N-(4-aminophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 82104270
N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110315678
4-methoxy-3-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 110868838
4-ethyl-N-(oxolan-3-yl)benzenesulfonamide
CID 110868831
4-[2-(cyclopropylamino)ethyl]-N-(oxolan-3-yl)benzenesulfonamide
CID 106072287
2-iodo-5-(oxolan-3-ylsulfamoyl)benzoic acid
CID 103962619

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(oxolan-3-yl)-3H-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of 2-oxo-N-(oxolan-3-yl)-3H-1,3-benzoxazole-6-sulfonamide (CID 110868860) is 2-oxo-N-(oxolan-3-yl)-3H-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for 2-oxo-N-(oxolan-3-yl)-3H-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for 2-oxo-N-(oxolan-3-yl)-3H-1,3-benzoxazole-6-sulfonamide is O=c1[nH]c2ccc(S(=O)(=O)NC3CCOC3)cc2o1.
What is the InChIKey of 2-oxo-N-(oxolan-3-yl)-3H-1,3-benzoxazole-6-sulfonamide?
The InChIKey is SYPFULANRHYVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O5S/c14-11-12-9-2-1-8(5-10(9)18-11)19(15,16)13-7-3-4-17-6-7/h1-2,5,7,13H,3-4,6H2,(H,12,14).
What are the key properties of 2-oxo-N-(oxolan-3-yl)-3H-1,3-benzoxazole-6-sulfonamide?
2-oxo-N-(oxolan-3-yl)-3H-1,3-benzoxazole-6-sulfonamide has a molecular weight of 284.29 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(oxolan-3-yl)-3H-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 110868860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).