4-[(2,3,5,6-tetrafluorophenyl)sulfamoyl]benzamide

C13H8F4N2O3S — CID 86792679

IUPAC4-[(2,3,5,6-tetrafluorophenyl)sulfamoyl]benzamide
SMILESNC(=O)c1ccc(S(=O)(=O)Nc2c(F)c(F)cc(F)c2F)cc1
InChIInChI=1S/C13H8F4N2O3S/c14-8-5-9(15)11(17)12(10(8)16)19-23(21,22)7-3-1-6(2-4-7)13(18)20/h1-5,19H,(H2,18,20)
InChIKeyTVPVQKCWZDAKQZ-UHFFFAOYSA-N
MW348.28 g/mol
LogP2.14
Rot. Bonds4

About 4-[(2,3,5,6-tetrafluorophenyl)sulfamoyl]benzamide

4-[(2,3,5,6-tetrafluorophenyl)sulfamoyl]benzamide (PubChem CID 86792679) has the molecular formula C13H8F4N2O3S and a molecular weight of 348.28 g/mol. Its IUPAC name is 4-[(2,3,5,6-tetrafluorophenyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name4-[(2,3,5,6-tetrafluorophenyl)sulfamoyl]benzamide
PubChem CID86792679
Molecular FormulaC13H8F4N2O3S
Molecular Weight348.28 g/mol
Exact Mass348.02
IUPAC Name4-[(2,3,5,6-tetrafluorophenyl)sulfamoyl]benzamide
SMILESNC(=O)c1ccc(S(=O)(=O)Nc2c(F)c(F)cc(F)c2F)cc1
InChIInChI=1S/C13H8F4N2O3S/c14-8-5-9(15)11(17)12(10(8)16)19-23(21,22)7-3-1-6(2-4-7)13(18)20/h1-5,19H,(H2,18,20)
InChIKeyTVPVQKCWZDAKQZ-UHFFFAOYSA-N
XLogP2.14
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-(methylsulfamoyl)benzamide
CID 43241290
4-[(3-amino-4-fluorophenyl)sulfamoyl]benzamide
CID 43604881
4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 2098781
4-[(4-chlorophenyl)sulfamoyl]benzamide
CID 27187051
4-[(4-methylphenyl)sulfonylamino]benzamide
CID 837332
4-(2-methylpropyl)-N-(2,3,5,6-tetrafluorophenyl)benzenesulfonamide
CID 22774577
4-[(3-methylsulfonylphenyl)sulfamoyl]benzamide
CID 18286126
4-[(2,5-dimethylphenyl)sulfamoyl]benzamide
CID 27187010
6-oxo-N-(2,3,5,6-tetrafluorophenyl)-1H-pyridine-3-sulfonamide
CID 107642714
4-[(6-fluoro-3-pyridinyl)sulfamoyl]benzamide
CID 103775704
4-[(4-ethoxy-3-fluorophenyl)sulfonylamino]benzamide
CID 110758104
4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]benzamide
CID 107848473

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3,5,6-tetrafluorophenyl)sulfamoyl]benzamide?
The IUPAC name of 4-[(2,3,5,6-tetrafluorophenyl)sulfamoyl]benzamide (CID 86792679) is 4-[(2,3,5,6-tetrafluorophenyl)sulfamoyl]benzamide.
What is the SMILES notation for 4-[(2,3,5,6-tetrafluorophenyl)sulfamoyl]benzamide?
The canonical SMILES for 4-[(2,3,5,6-tetrafluorophenyl)sulfamoyl]benzamide is NC(=O)c1ccc(S(=O)(=O)Nc2c(F)c(F)cc(F)c2F)cc1.
What is the InChIKey of 4-[(2,3,5,6-tetrafluorophenyl)sulfamoyl]benzamide?
The InChIKey is TVPVQKCWZDAKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F4N2O3S/c14-8-5-9(15)11(17)12(10(8)16)19-23(21,22)7-3-1-6(2-4-7)13(18)20/h1-5,19H,(H2,18,20).
What are the key properties of 4-[(2,3,5,6-tetrafluorophenyl)sulfamoyl]benzamide?
4-[(2,3,5,6-tetrafluorophenyl)sulfamoyl]benzamide has a molecular weight of 348.28 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3,5,6-tetrafluorophenyl)sulfamoyl]benzamide is sourced from PubChem (CID 86792679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).