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

C13H9FN2O4S — CID 24686498

IUPACN-(3-fluorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)Nc3cccc(F)c3)cc2o1
InChIInChI=1S/C13H9FN2O4S/c14-8-2-1-3-9(6-8)16-21(18,19)10-4-5-11-12(7-10)20-13(17)15-11/h1-7,16H,(H,15,17)
InChIKeyUKLMZCZYBVKWHI-UHFFFAOYSA-N
MW308.29 g/mol
LogP2.06
Rot. Bonds3

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

N-(3-fluorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide (PubChem CID 24686498) has the molecular formula C13H9FN2O4S and a molecular weight of 308.29 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
PubChem CID24686498
Molecular FormulaC13H9FN2O4S
Molecular Weight308.29 g/mol
Exact Mass308.03
IUPAC NameN-(3-fluorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)Nc3cccc(F)c3)cc2o1
InChIInChI=1S/C13H9FN2O4S/c14-8-2-1-3-9(6-8)16-21(18,19)10-4-5-11-12(7-10)20-13(17)15-11/h1-7,16H,(H,15,17)
InChIKeyUKLMZCZYBVKWHI-UHFFFAOYSA-N
XLogP2.06
TPSA92.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 92648168
N-(3-cyclopentyloxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 35547980
N-(4-aminophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 82104270
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 155962881
N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 43018778
N-(5-chloro-2-fluorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110778576
N-cyclopropyl-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]benzamide
CID 46680383
N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 55735768
N-(2,6-difluorophenyl)-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760759
2-oxo-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]-3H-1,3-benzoxazole-6-sulfonamide
CID 108784276
N-methyl-4-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]benzamide
CID 134055659
2-oxo-N-(oxolan-3-yl)-3H-1,3-benzoxazole-6-sulfonamide
CID 110868860

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-(3-fluorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide (CID 24686498) is N-(3-fluorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-(3-fluorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide is O=c1[nH]c2ccc(S(=O)(=O)Nc3cccc(F)c3)cc2o1.
What is the InChIKey of N-(3-fluorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The InChIKey is UKLMZCZYBVKWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O4S/c14-8-2-1-3-9(6-8)16-21(18,19)10-4-5-11-12(7-10)20-13(17)15-11/h1-7,16H,(H,15,17).
What are the key properties of N-(3-fluorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
N-(3-fluorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide has a molecular weight of 308.29 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 24686498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).