3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2,6-difluorophenyl)propanamide

C15H11F2N3O4S — CID 15987855

IUPAC3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2,6-difluorophenyl)propanamide
SMILESO=C(CCS(=O)(=O)c1cccc2nonc12)Nc1c(F)cccc1F
InChIInChI=1S/C15H11F2N3O4S/c16-9-3-1-4-10(17)14(9)18-13(21)7-8-25(22,23)12-6-2-5-11-15(12)20-24-19-11/h1-6H,7-8H2,(H,18,21)
InChIKeyZMTQMSJZXMNMOW-UHFFFAOYSA-N
MW367.33 g/mol
LogP2.30
Rot. Bonds5

About 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2,6-difluorophenyl)propanamide

3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2,6-difluorophenyl)propanamide (PubChem CID 15987855) has the molecular formula C15H11F2N3O4S and a molecular weight of 367.33 g/mol. Its IUPAC name is 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2,6-difluorophenyl)propanamide.

Molecular Properties

Compound Name3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2,6-difluorophenyl)propanamide
PubChem CID15987855
Molecular FormulaC15H11F2N3O4S
Molecular Weight367.33 g/mol
Exact Mass367.04
IUPAC Name3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2,6-difluorophenyl)propanamide
SMILESO=C(CCS(=O)(=O)c1cccc2nonc12)Nc1c(F)cccc1F
InChIInChI=1S/C15H11F2N3O4S/c16-9-3-1-4-10(17)14(9)18-13(21)7-8-25(22,23)12-6-2-5-11-15(12)20-24-19-11/h1-6H,7-8H2,(H,18,21)
InChIKeyZMTQMSJZXMNMOW-UHFFFAOYSA-N
XLogP2.30
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2,6-difluorophenyl)propanamide?
The IUPAC name of 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2,6-difluorophenyl)propanamide (CID 15987855) is 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2,6-difluorophenyl)propanamide.
What is the SMILES notation for 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2,6-difluorophenyl)propanamide?
The canonical SMILES for 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2,6-difluorophenyl)propanamide is O=C(CCS(=O)(=O)c1cccc2nonc12)Nc1c(F)cccc1F.
What is the InChIKey of 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2,6-difluorophenyl)propanamide?
The InChIKey is ZMTQMSJZXMNMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O4S/c16-9-3-1-4-10(17)14(9)18-13(21)7-8-25(22,23)12-6-2-5-11-15(12)20-24-19-11/h1-6H,7-8H2,(H,18,21).
What are the key properties of 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2,6-difluorophenyl)propanamide?
3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2,6-difluorophenyl)propanamide has a molecular weight of 367.33 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2,6-difluorophenyl)propanamide is sourced from PubChem (CID 15987855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).