N-(3-fluorophenyl)-4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzamide

C19H14FN3O6S — CID 29371337

IUPACN-(3-fluorophenyl)-4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzamide
SMILESO=C(Nc1cccc(F)c1)c1ccc(NS(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C19H14FN3O6S/c20-13-2-1-3-15(10-13)21-19(25)12-4-6-14(7-5-12)22-30(28,29)16-8-9-18(24)17(11-16)23(26)27/h1-11,22,24H,(H,21,25)
InChIKeyLKOFNYYULBFCTD-UHFFFAOYSA-N
MW431.40 g/mol
LogP3.49
Rot. Bonds6

About N-(3-fluorophenyl)-4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzamide

N-(3-fluorophenyl)-4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzamide (PubChem CID 29371337) has the molecular formula C19H14FN3O6S and a molecular weight of 431.40 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzamide
PubChem CID29371337
Molecular FormulaC19H14FN3O6S
Molecular Weight431.40 g/mol
Exact Mass431.06
IUPAC NameN-(3-fluorophenyl)-4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzamide
SMILESO=C(Nc1cccc(F)c1)c1ccc(NS(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C19H14FN3O6S/c20-13-2-1-3-15(10-13)21-19(25)12-4-6-14(7-5-12)22-30(28,29)16-8-9-18(24)17(11-16)23(26)27/h1-11,22,24H,(H,21,25)
InChIKeyLKOFNYYULBFCTD-UHFFFAOYSA-N
XLogP3.49
TPSA138.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.40
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzamide?
The IUPAC name of N-(3-fluorophenyl)-4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzamide (CID 29371337) is N-(3-fluorophenyl)-4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(3-fluorophenyl)-4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(3-fluorophenyl)-4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzamide is O=C(Nc1cccc(F)c1)c1ccc(NS(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1.
What is the InChIKey of N-(3-fluorophenyl)-4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzamide?
The InChIKey is LKOFNYYULBFCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O6S/c20-13-2-1-3-15(10-13)21-19(25)12-4-6-14(7-5-12)22-30(28,29)16-8-9-18(24)17(11-16)23(26)27/h1-11,22,24H,(H,21,25).
What are the key properties of N-(3-fluorophenyl)-4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzamide?
N-(3-fluorophenyl)-4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzamide has a molecular weight of 431.40 g/mol, XLogP of 3.49, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 29371337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).