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

C13H8F2N2O4S — CID 110760759

IUPACN-(2,6-difluorophenyl)-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
SMILESO=c1[nH]c2cc(S(=O)(=O)Nc3c(F)cccc3F)ccc2o1
InChIInChI=1S/C13H8F2N2O4S/c14-8-2-1-3-9(15)12(8)17-22(19,20)7-4-5-11-10(6-7)16-13(18)21-11/h1-6,17H,(H,16,18)
InChIKeyVZOIMOOATNWLRR-UHFFFAOYSA-N
MW326.28 g/mol
LogP2.20
Rot. Bonds3

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

N-(2,6-difluorophenyl)-2-oxo-3H-1,3-benzoxazole-5-sulfonamide (PubChem CID 110760759) has the molecular formula C13H8F2N2O4S and a molecular weight of 326.28 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-oxo-3H-1,3-benzoxazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
PubChem CID110760759
Molecular FormulaC13H8F2N2O4S
Molecular Weight326.28 g/mol
Exact Mass326.02
IUPAC NameN-(2,6-difluorophenyl)-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
SMILESO=c1[nH]c2cc(S(=O)(=O)Nc3c(F)cccc3F)ccc2o1
InChIInChI=1S/C13H8F2N2O4S/c14-8-2-1-3-9(15)12(8)17-22(19,20)7-4-5-11-10(6-7)16-13(18)21-11/h1-6,17H,(H,16,18)
InChIKeyVZOIMOOATNWLRR-UHFFFAOYSA-N
XLogP2.20
TPSA92.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-difluorophenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 8777082
N-(2-ethoxyphenyl)-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760726
N-(3-fluorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 24686498
N-(2,6-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 8500850
N-(4-methylpyrimidin-2-yl)-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 146024943
N-butyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760630
N-[2-(dimethylamino)ethyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760642
2-oxo-N-(3-pyridin-2-yloxyphenyl)-3H-1,3-benzoxazole-5-sulfonamide
CID 146024988
N-(5-chloro-2-fluorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110778576
4-amino-N-(2,6-difluorophenyl)-3-fluorobenzenesulfonamide
CID 82843706
N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 122309507
N-[(2-methoxyphenyl)methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760660

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-oxo-3H-1,3-benzoxazole-5-sulfonamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-oxo-3H-1,3-benzoxazole-5-sulfonamide (CID 110760759) is N-(2,6-difluorophenyl)-2-oxo-3H-1,3-benzoxazole-5-sulfonamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-oxo-3H-1,3-benzoxazole-5-sulfonamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-oxo-3H-1,3-benzoxazole-5-sulfonamide is O=c1[nH]c2cc(S(=O)(=O)Nc3c(F)cccc3F)ccc2o1.
What is the InChIKey of N-(2,6-difluorophenyl)-2-oxo-3H-1,3-benzoxazole-5-sulfonamide?
The InChIKey is VZOIMOOATNWLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2O4S/c14-8-2-1-3-9(15)12(8)17-22(19,20)7-4-5-11-10(6-7)16-13(18)21-11/h1-6,17H,(H,16,18).
What are the key properties of N-(2,6-difluorophenyl)-2-oxo-3H-1,3-benzoxazole-5-sulfonamide?
N-(2,6-difluorophenyl)-2-oxo-3H-1,3-benzoxazole-5-sulfonamide has a molecular weight of 326.28 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-oxo-3H-1,3-benzoxazole-5-sulfonamide is sourced from PubChem (CID 110760759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).