N-(5-chloro-2-fluorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide

C13H8ClFN2O4S — CID 110778576

IUPACN-(5-chloro-2-fluorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)Nc3cc(Cl)ccc3F)cc2o1
InChIInChI=1S/C13H8ClFN2O4S/c14-7-1-3-9(15)11(5-7)17-22(19,20)8-2-4-10-12(6-8)21-13(18)16-10/h1-6,17H,(H,16,18)
InChIKeyLCLUFIDTRPWUPA-UHFFFAOYSA-N
MW342.74 g/mol
LogP2.71
Rot. Bonds3

About N-(5-chloro-2-fluorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide

N-(5-chloro-2-fluorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide (PubChem CID 110778576) has the molecular formula C13H8ClFN2O4S and a molecular weight of 342.74 g/mol. Its IUPAC name is N-(5-chloro-2-fluorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-fluorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
PubChem CID110778576
Molecular FormulaC13H8ClFN2O4S
Molecular Weight342.74 g/mol
Exact Mass341.99
IUPAC NameN-(5-chloro-2-fluorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)Nc3cc(Cl)ccc3F)cc2o1
InChIInChI=1S/C13H8ClFN2O4S/c14-7-1-3-9(15)11(5-7)17-22(19,20)8-2-4-10-12(6-8)21-13(18)16-10/h1-6,17H,(H,16,18)
InChIKeyLCLUFIDTRPWUPA-UHFFFAOYSA-N
XLogP2.71
TPSA92.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.74
LogP ≤ 52.71
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-fluorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 24686498
N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 108782569
N-(4-aminophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 82104270
N-[2-(1-chloro-2,2,2-trifluoroethyl)sulfanylphenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 42942032
N-[(5-chlorothiophen-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110733943
N-methyl-4-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]benzamide
CID 134055659
N-(5-tert-butyl-2-methoxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 39919060
N-(5-chloro-2-fluorophenyl)-4-fluoro-3-nitrobenzenesulfonamide
CID 4793013
N-(2,6-difluorophenyl)-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760759
2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]-N-prop-2-enylbenzamide
CID 46680428
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 108783100

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-fluorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-(5-chloro-2-fluorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide (CID 110778576) is N-(5-chloro-2-fluorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-(5-chloro-2-fluorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-(5-chloro-2-fluorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide is O=c1[nH]c2ccc(S(=O)(=O)Nc3cc(Cl)ccc3F)cc2o1.
What is the InChIKey of N-(5-chloro-2-fluorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The InChIKey is LCLUFIDTRPWUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2O4S/c14-7-1-3-9(15)11(5-7)17-22(19,20)8-2-4-10-12(6-8)21-13(18)16-10/h1-6,17H,(H,16,18).
What are the key properties of N-(5-chloro-2-fluorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
N-(5-chloro-2-fluorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide has a molecular weight of 342.74 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-fluorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 110778576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).