3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(2-fluorophenyl)propanamide

C15H13FN4O4S — CID 46504550

IUPAC3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(2-fluorophenyl)propanamide
SMILESO=C(CCNS(=O)(=O)c1cccc2nonc12)Nc1ccccc1F
InChIInChI=1S/C15H13FN4O4S/c16-10-4-1-2-5-11(10)18-14(21)8-9-17-25(22,23)13-7-3-6-12-15(13)20-24-19-12/h1-7,17H,8-9H2,(H,18,21)
InChIKeyMHQLLCZQVLRQPA-UHFFFAOYSA-N
MW364.36 g/mol
LogP1.67
Rot. Bonds6

About 3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(2-fluorophenyl)propanamide

3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(2-fluorophenyl)propanamide (PubChem CID 46504550) has the molecular formula C15H13FN4O4S and a molecular weight of 364.36 g/mol. Its IUPAC name is 3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(2-fluorophenyl)propanamide
PubChem CID46504550
Molecular FormulaC15H13FN4O4S
Molecular Weight364.36 g/mol
Exact Mass364.06
IUPAC Name3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(2-fluorophenyl)propanamide
SMILESO=C(CCNS(=O)(=O)c1cccc2nonc12)Nc1ccccc1F
InChIInChI=1S/C15H13FN4O4S/c16-10-4-1-2-5-11(10)18-14(21)8-9-17-25(22,23)13-7-3-6-12-15(13)20-24-19-12/h1-7,17H,8-9H2,(H,18,21)
InChIKeyMHQLLCZQVLRQPA-UHFFFAOYSA-N
XLogP1.67
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(4-bromophenyl)propanamide
CID 4249631
3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(2-chloro-4-methylphenyl)propanamide
CID 15997562
N-[2-(2,1,3-benzoxadiazol-4-ylsulfonylamino)ethyl]-2-fluorobenzamide
CID 42582628
N-(4-acetylphenyl)-3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)propanamide
CID 3239240
N-(2-fluorophenyl)-2,1,3-benzoxadiazole-4-sulfonamide
CID 3265280
3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(2,4-dimethoxyphenyl)propanamide
CID 4243804
3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(4-propan-2-ylphenyl)propanamide
CID 3236426
4-(2,1,3-benzoxadiazol-4-ylsulfonylamino)butanoate
CID 4105183
dimethyl 5-[3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)propanoylamino]benzene-1,3-dicarboxylate
CID 4243798
3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-ethoxyphenyl)propanamide
CID 3237592
N-[2-(dimethylamino)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 25238444
N-(2-fluorophenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 26584303

Frequently Asked Questions

What is the IUPAC name of 3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(2-fluorophenyl)propanamide?
The IUPAC name of 3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(2-fluorophenyl)propanamide (CID 46504550) is 3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(2-fluorophenyl)propanamide.
What is the SMILES notation for 3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(2-fluorophenyl)propanamide?
The canonical SMILES for 3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(2-fluorophenyl)propanamide is O=C(CCNS(=O)(=O)c1cccc2nonc12)Nc1ccccc1F.
What is the InChIKey of 3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(2-fluorophenyl)propanamide?
The InChIKey is MHQLLCZQVLRQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O4S/c16-10-4-1-2-5-11(10)18-14(21)8-9-17-25(22,23)13-7-3-6-12-15(13)20-24-19-12/h1-7,17H,8-9H2,(H,18,21).
What are the key properties of 3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(2-fluorophenyl)propanamide?
3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(2-fluorophenyl)propanamide has a molecular weight of 364.36 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(2-fluorophenyl)propanamide is sourced from PubChem (CID 46504550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).