2-fluoro-N-[3-[(4-fluorophenyl)sulfonylamino]propyl]benzamide

C16H16F2N2O3S — CID 47077414

IUPAC2-fluoro-N-[3-[(4-fluorophenyl)sulfonylamino]propyl]benzamide
SMILESO=C(NCCCNS(=O)(=O)c1ccc(F)cc1)c1ccccc1F
InChIInChI=1S/C16H16F2N2O3S/c17-12-6-8-13(9-7-12)24(22,23)20-11-3-10-19-16(21)14-4-1-2-5-15(14)18/h1-2,4-9,20H,3,10-11H2,(H,19,21)
InChIKeyBAAJJXSEACPLKX-UHFFFAOYSA-N
MW354.38 g/mol
LogP2.06
Rot. Bonds7

About 2-fluoro-N-[3-[(4-fluorophenyl)sulfonylamino]propyl]benzamide

2-fluoro-N-[3-[(4-fluorophenyl)sulfonylamino]propyl]benzamide (PubChem CID 47077414) has the molecular formula C16H16F2N2O3S and a molecular weight of 354.38 g/mol. Its IUPAC name is 2-fluoro-N-[3-[(4-fluorophenyl)sulfonylamino]propyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[3-[(4-fluorophenyl)sulfonylamino]propyl]benzamide
PubChem CID47077414
Molecular FormulaC16H16F2N2O3S
Molecular Weight354.38 g/mol
Exact Mass354.08
IUPAC Name2-fluoro-N-[3-[(4-fluorophenyl)sulfonylamino]propyl]benzamide
SMILESO=C(NCCCNS(=O)(=O)c1ccc(F)cc1)c1ccccc1F
InChIInChI=1S/C16H16F2N2O3S/c17-12-6-8-13(9-7-12)24(22,23)20-11-3-10-19-16(21)14-4-1-2-5-15(14)18/h1-2,4-9,20H,3,10-11H2,(H,19,21)
InChIKeyBAAJJXSEACPLKX-UHFFFAOYSA-N
XLogP2.06
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide
CID 40718082
N-butyl-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]benzamide
CID 17192288
2-fluoro-N-[2-fluoro-4-(3-hydroxypropylsulfamoyl)phenyl]benzamide
CID 18893237
2-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]benzamide
CID 39948261
4-fluoro-N-[4-[2-(2-methylbenzoyl)hydrazinyl]-4-oxobutyl]benzenesulfonamide
CID 9220784
2-fluoro-N-[3-(oxan-4-ylsulfonylamino)propyl]benzamide
CID 51108792
2-[(4-fluorophenyl)sulfonylamino]ethylurea
CID 78994332
N-(3-aminopropyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride
CID 119404849
3-[(4-fluorophenyl)sulfonylamino]-N-(3-phenylpropyl)propanamide
CID 35806898
2,4-difluoro-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]benzamide
CID 60583733
2-[2-(benzenesulfonamido)ethylcarbamoyl]benzoic acid
CID 113083408
4-fluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 3765011

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-[(4-fluorophenyl)sulfonylamino]propyl]benzamide?
The IUPAC name of 2-fluoro-N-[3-[(4-fluorophenyl)sulfonylamino]propyl]benzamide (CID 47077414) is 2-fluoro-N-[3-[(4-fluorophenyl)sulfonylamino]propyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[3-[(4-fluorophenyl)sulfonylamino]propyl]benzamide?
The canonical SMILES for 2-fluoro-N-[3-[(4-fluorophenyl)sulfonylamino]propyl]benzamide is O=C(NCCCNS(=O)(=O)c1ccc(F)cc1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[3-[(4-fluorophenyl)sulfonylamino]propyl]benzamide?
The InChIKey is BAAJJXSEACPLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O3S/c17-12-6-8-13(9-7-12)24(22,23)20-11-3-10-19-16(21)14-4-1-2-5-15(14)18/h1-2,4-9,20H,3,10-11H2,(H,19,21).
What are the key properties of 2-fluoro-N-[3-[(4-fluorophenyl)sulfonylamino]propyl]benzamide?
2-fluoro-N-[3-[(4-fluorophenyl)sulfonylamino]propyl]benzamide has a molecular weight of 354.38 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-[(4-fluorophenyl)sulfonylamino]propyl]benzamide is sourced from PubChem (CID 47077414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).