N-(2,4-difluorophenyl)-1,3-benzoxazole-6-sulfonamide

C13H8F2N2O3S — CID 110759753

IUPACN-(2,4-difluorophenyl)-1,3-benzoxazole-6-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1F)c1ccc2ncoc2c1
InChIInChI=1S/C13H8F2N2O3S/c14-8-1-3-11(10(15)5-8)17-21(18,19)9-2-4-12-13(6-9)20-7-16-12/h1-7,17H
InChIKeySKVLSAISAIRECA-UHFFFAOYSA-N
MW310.28 g/mol
LogP2.91
Rot. Bonds3

About N-(2,4-difluorophenyl)-1,3-benzoxazole-6-sulfonamide

N-(2,4-difluorophenyl)-1,3-benzoxazole-6-sulfonamide (PubChem CID 110759753) has the molecular formula C13H8F2N2O3S and a molecular weight of 310.28 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-1,3-benzoxazole-6-sulfonamide
PubChem CID110759753
Molecular FormulaC13H8F2N2O3S
Molecular Weight310.28 g/mol
Exact Mass310.02
IUPAC NameN-(2,4-difluorophenyl)-1,3-benzoxazole-6-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1F)c1ccc2ncoc2c1
InChIInChI=1S/C13H8F2N2O3S/c14-8-1-3-11(10(15)5-8)17-21(18,19)9-2-4-12-13(6-9)20-7-16-12/h1-7,17H
InChIKeySKVLSAISAIRECA-UHFFFAOYSA-N
XLogP2.91
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-(2,4-difluorophenyl)-1,3-benzoxazole-6-sulfonamide (CID 110759753) is N-(2,4-difluorophenyl)-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-(2,4-difluorophenyl)-1,3-benzoxazole-6-sulfonamide is O=S(=O)(Nc1ccc(F)cc1F)c1ccc2ncoc2c1.
What is the InChIKey of N-(2,4-difluorophenyl)-1,3-benzoxazole-6-sulfonamide?
The InChIKey is SKVLSAISAIRECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2O3S/c14-8-1-3-11(10(15)5-8)17-21(18,19)9-2-4-12-13(6-9)20-7-16-12/h1-7,17H.
What are the key properties of N-(2,4-difluorophenyl)-1,3-benzoxazole-6-sulfonamide?
N-(2,4-difluorophenyl)-1,3-benzoxazole-6-sulfonamide has a molecular weight of 310.28 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 110759753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).