N-[2-(2,1,3-benzoxadiazol-4-ylsulfonylamino)ethyl]-2-fluorobenzamide

C15H13FN4O4S — CID 42582628

IUPACN-[2-(2,1,3-benzoxadiazol-4-ylsulfonylamino)ethyl]-2-fluorobenzamide
SMILESO=C(NCCNS(=O)(=O)c1cccc2nonc12)c1ccccc1F
InChIInChI=1S/C15H13FN4O4S/c16-11-5-2-1-4-10(11)15(21)17-8-9-18-25(22,23)13-7-3-6-12-14(13)20-24-19-12/h1-7,18H,8-9H2,(H,17,21)
InChIKeyXZDYVJUKZXGVDX-UHFFFAOYSA-N
MW364.36 g/mol
LogP1.07
Rot. Bonds6

About N-[2-(2,1,3-benzoxadiazol-4-ylsulfonylamino)ethyl]-2-fluorobenzamide

N-[2-(2,1,3-benzoxadiazol-4-ylsulfonylamino)ethyl]-2-fluorobenzamide (PubChem CID 42582628) has the molecular formula C15H13FN4O4S and a molecular weight of 364.36 g/mol. Its IUPAC name is N-[2-(2,1,3-benzoxadiazol-4-ylsulfonylamino)ethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(2,1,3-benzoxadiazol-4-ylsulfonylamino)ethyl]-2-fluorobenzamide
PubChem CID42582628
Molecular FormulaC15H13FN4O4S
Molecular Weight364.36 g/mol
Exact Mass364.06
IUPAC NameN-[2-(2,1,3-benzoxadiazol-4-ylsulfonylamino)ethyl]-2-fluorobenzamide
SMILESO=C(NCCNS(=O)(=O)c1cccc2nonc12)c1ccccc1F
InChIInChI=1S/C15H13FN4O4S/c16-11-5-2-1-4-10(11)15(21)17-8-9-18-25(22,23)13-7-3-6-12-14(13)20-24-19-12/h1-7,18H,8-9H2,(H,17,21)
InChIKeyXZDYVJUKZXGVDX-UHFFFAOYSA-N
XLogP1.07
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 ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(2-fluorophenyl)propanamide
CID 46504550
4-(2,1,3-benzoxadiazol-4-ylsulfonylamino)butanoate
CID 4105183
N-(2-fluorophenyl)-2,1,3-benzoxadiazole-4-sulfonamide
CID 3265280
N-[2-(dimethylamino)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 25238444
N-octyl-2,1,3-benzoxadiazole-4-sulfonamide
CID 19681346
3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(4-bromophenyl)propanamide
CID 4249631
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 58859292
N-(4-acetylphenyl)-3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)propanamide
CID 3239240
2-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide
CID 40718082
N-phenyl-2,1,3-benzoxadiazole-4-sulfonamide
CID 6467616
3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(4-propan-2-ylphenyl)propanamide
CID 3236426
N-(2-amino-2-phenylethyl)-2,1,3-benzoxadiazole-4-sulfonamide;hydrochloride
CID 84591138

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,1,3-benzoxadiazol-4-ylsulfonylamino)ethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-(2,1,3-benzoxadiazol-4-ylsulfonylamino)ethyl]-2-fluorobenzamide (CID 42582628) is N-[2-(2,1,3-benzoxadiazol-4-ylsulfonylamino)ethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-(2,1,3-benzoxadiazol-4-ylsulfonylamino)ethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-(2,1,3-benzoxadiazol-4-ylsulfonylamino)ethyl]-2-fluorobenzamide is O=C(NCCNS(=O)(=O)c1cccc2nonc12)c1ccccc1F.
What is the InChIKey of N-[2-(2,1,3-benzoxadiazol-4-ylsulfonylamino)ethyl]-2-fluorobenzamide?
The InChIKey is XZDYVJUKZXGVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O4S/c16-11-5-2-1-4-10(11)15(21)17-8-9-18-25(22,23)13-7-3-6-12-14(13)20-24-19-12/h1-7,18H,8-9H2,(H,17,21).
What are the key properties of N-[2-(2,1,3-benzoxadiazol-4-ylsulfonylamino)ethyl]-2-fluorobenzamide?
N-[2-(2,1,3-benzoxadiazol-4-ylsulfonylamino)ethyl]-2-fluorobenzamide has a molecular weight of 364.36 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,1,3-benzoxadiazol-4-ylsulfonylamino)ethyl]-2-fluorobenzamide is sourced from PubChem (CID 42582628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).