N-[4-(benzenesulfonamido)phenyl]-4-nitrobenzamide

C19H15N3O5S — CID 4230434

IUPACN-[4-(benzenesulfonamido)phenyl]-4-nitrobenzamide
SMILESO=C(Nc1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H15N3O5S/c23-19(14-6-12-17(13-7-14)22(24)25)20-15-8-10-16(11-9-15)21-28(26,27)18-4-2-1-3-5-18/h1-13,21H,(H,20,23)
InChIKeyFBGIYWVFXCUZCX-UHFFFAOYSA-N
MW397.41 g/mol
LogP3.65
Rot. Bonds6

About N-[4-(benzenesulfonamido)phenyl]-4-nitrobenzamide

N-[4-(benzenesulfonamido)phenyl]-4-nitrobenzamide (PubChem CID 4230434) has the molecular formula C19H15N3O5S and a molecular weight of 397.41 g/mol. Its IUPAC name is N-[4-(benzenesulfonamido)phenyl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[4-(benzenesulfonamido)phenyl]-4-nitrobenzamide
PubChem CID4230434
Molecular FormulaC19H15N3O5S
Molecular Weight397.41 g/mol
Exact Mass397.07
IUPAC NameN-[4-(benzenesulfonamido)phenyl]-4-nitrobenzamide
SMILESO=C(Nc1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H15N3O5S/c23-19(14-6-12-17(13-7-14)22(24)25)20-15-8-10-16(11-9-15)21-28(26,27)18-4-2-1-3-5-18/h1-13,21H,(H,20,23)
InChIKeyFBGIYWVFXCUZCX-UHFFFAOYSA-N
XLogP3.65
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

1-[4-[4-(benzenesulfonamido)phenyl]sulfonylphenyl]-3-(4-nitrophenyl)urea
CID 156902705
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-nitrobenzamide
CID 3950835
N-(4-fluorophenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide
CID 26594001
N-[4-(benzenesulfonamido)phenyl]-4-(tert-butylsulfonylamino)benzamide
CID 20630386
potassium 4-[(4-nitrobenzoyl)amino]benzenesulfonic acid
CID 54607027
4-nitro-N-[4-[1-[4-[(4-nitrobenzoyl)amino]phenyl]-1-phenylethyl]phenyl]benzamide
CID 5091426
N-(4-methyl-3-nitrophenyl)-4-(phenylsulfamoyl)benzamide
CID 26576093
4-(benzenesulfonamido)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzamide
CID 17052595
N-[4-[(3-nitrophenyl)sulfonylamino]phenyl]sulfonylbenzamide
CID 22772942
4-nitro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 2246052
N-(4-fluorophenyl)-4-[(4-phenylphenyl)sulfonylamino]benzamide
CID 46386313
4-(dimethylsulfamoyl)-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 24638138

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzenesulfonamido)phenyl]-4-nitrobenzamide?
The IUPAC name of N-[4-(benzenesulfonamido)phenyl]-4-nitrobenzamide (CID 4230434) is N-[4-(benzenesulfonamido)phenyl]-4-nitrobenzamide.
What is the SMILES notation for N-[4-(benzenesulfonamido)phenyl]-4-nitrobenzamide?
The canonical SMILES for N-[4-(benzenesulfonamido)phenyl]-4-nitrobenzamide is O=C(Nc1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[4-(benzenesulfonamido)phenyl]-4-nitrobenzamide?
The InChIKey is FBGIYWVFXCUZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O5S/c23-19(14-6-12-17(13-7-14)22(24)25)20-15-8-10-16(11-9-15)21-28(26,27)18-4-2-1-3-5-18/h1-13,21H,(H,20,23).
What are the key properties of N-[4-(benzenesulfonamido)phenyl]-4-nitrobenzamide?
N-[4-(benzenesulfonamido)phenyl]-4-nitrobenzamide has a molecular weight of 397.41 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzenesulfonamido)phenyl]-4-nitrobenzamide is sourced from PubChem (CID 4230434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).