5-fluoro-2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzenesulfonamide

C14H11FN2O4S — CID 47062828

IUPAC5-fluoro-2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C14H11FN2O4S/c1-8-2-3-9(15)6-13(8)22(19,20)17-10-4-5-12-11(7-10)16-14(18)21-12/h2-7,17H,1H3,(H,16,18)
InChIKeyXWTFOVWXKUVUMN-UHFFFAOYSA-N
MW322.32 g/mol
LogP2.37
Rot. Bonds3

About 5-fluoro-2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzenesulfonamide

5-fluoro-2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzenesulfonamide (PubChem CID 47062828) has the molecular formula C14H11FN2O4S and a molecular weight of 322.32 g/mol. Its IUPAC name is 5-fluoro-2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzenesulfonamide
PubChem CID47062828
Molecular FormulaC14H11FN2O4S
Molecular Weight322.32 g/mol
Exact Mass322.04
IUPAC Name5-fluoro-2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C14H11FN2O4S/c1-8-2-3-9(15)6-13(8)22(19,20)17-10-4-5-12-11(7-10)16-14(18)21-12/h2-7,17H,1H3,(H,16,18)
InChIKeyXWTFOVWXKUVUMN-UHFFFAOYSA-N
XLogP2.37
TPSA92.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-2,5-dimethyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzenesulfonamide
CID 110350561
5-[(4-fluorophenyl)methylamino]-3H-1,3-benzoxazol-2-one
CID 43741452
5-fluoro-2-methyl-N-(4-methylsulfanylphenyl)benzenesulfonamide
CID 3600793
5-(ethylsulfamoylamino)-3H-1,3-benzoxazol-2-one
CID 110607935
N-(3-amino-4-ethylphenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 43551076
N-(4-amino-3-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 43604420
5-(2-chloroethylamino)-3H-1,3-benzoxazol-2-one
CID 115214645
4-fluoro-2-methyl-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide
CID 110721851
5-fluoro-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 47309539
4-[(5-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 7040246
5-[(3,5-difluorophenyl)methylamino]-3H-1,3-benzoxazol-2-one
CID 99793337
5-fluoro-N-[3-(5-fluoro-1H-indol-2-yl)phenyl]-2-methylbenzenesulfonamide
CID 46375065

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzenesulfonamide?
The IUPAC name of 5-fluoro-2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzenesulfonamide (CID 47062828) is 5-fluoro-2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzenesulfonamide?
The canonical SMILES for 5-fluoro-2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzenesulfonamide is Cc1ccc(F)cc1S(=O)(=O)Nc1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of 5-fluoro-2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzenesulfonamide?
The InChIKey is XWTFOVWXKUVUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O4S/c1-8-2-3-9(15)6-13(8)22(19,20)17-10-4-5-12-11(7-10)16-14(18)21-12/h2-7,17H,1H3,(H,16,18).
What are the key properties of 5-fluoro-2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzenesulfonamide?
5-fluoro-2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzenesulfonamide has a molecular weight of 322.32 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 47062828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).