N-benzyl-3-[(3-nitrophenyl)sulfonylamino]benzamide

C20H17N3O5S — CID 22773246

IUPACN-benzyl-3-[(3-nitrophenyl)sulfonylamino]benzamide
SMILESO=C(NCc1ccccc1)c1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C20H17N3O5S/c24-20(21-14-15-6-2-1-3-7-15)16-8-4-9-17(12-16)22-29(27,28)19-11-5-10-18(13-19)23(25)26/h1-13,22H,14H2,(H,21,24)
InChIKeyFKTAURSFQMNCIU-UHFFFAOYSA-N
MW411.44 g/mol
LogP3.33
Rot. Bonds7

About N-benzyl-3-[(3-nitrophenyl)sulfonylamino]benzamide

N-benzyl-3-[(3-nitrophenyl)sulfonylamino]benzamide (PubChem CID 22773246) has the molecular formula C20H17N3O5S and a molecular weight of 411.44 g/mol. Its IUPAC name is N-benzyl-3-[(3-nitrophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-benzyl-3-[(3-nitrophenyl)sulfonylamino]benzamide
PubChem CID22773246
Molecular FormulaC20H17N3O5S
Molecular Weight411.44 g/mol
Exact Mass411.09
IUPAC NameN-benzyl-3-[(3-nitrophenyl)sulfonylamino]benzamide
SMILESO=C(NCc1ccccc1)c1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C20H17N3O5S/c24-20(21-14-15-6-2-1-3-7-15)16-8-4-9-17(12-16)22-29(27,28)19-11-5-10-18(13-19)23(25)26/h1-13,22H,14H2,(H,21,24)
InChIKeyFKTAURSFQMNCIU-UHFFFAOYSA-N
XLogP3.33
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 53.33
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

N-benzyl-3-nitro(11C)benzamide
CID 71606846
4-[(3-nitrophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)benzamide
CID 18107687
3-[(3-nitrophenyl)sulfonylamino]benzoate
CID 7452082
N-benzyl-3-[(3-fluorophenyl)sulfamoyl]benzamide
CID 109064538
4-[(3-nitrophenyl)sulfonylamino]-N-(2-phenylethyl)benzamide
CID 18108738
3-[(4-acetamidophenyl)sulfonylamino]-N-benzylbenzamide
CID 17377321
N-benzyl-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7542047
N-[4-[(3-nitrophenyl)sulfonylamino]phenyl]sulfonylbenzamide
CID 22772942
N-benzyl-3-[(4-bromophenyl)sulfamoyl]benzamide
CID 561600
N-benzyl-3-[(4-nitrobenzoyl)amino]benzamide
CID 28638777
4-[(3-nitrophenyl)sulfonylamino]-N-propylbenzamide
CID 18104911
N-[[3-(aminomethyl)phenyl]methyl]-3-(naphthalen-2-ylsulfonylamino)benzamide
CID 18928951

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(3-nitrophenyl)sulfonylamino]benzamide?
The IUPAC name of N-benzyl-3-[(3-nitrophenyl)sulfonylamino]benzamide (CID 22773246) is N-benzyl-3-[(3-nitrophenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-benzyl-3-[(3-nitrophenyl)sulfonylamino]benzamide?
The canonical SMILES for N-benzyl-3-[(3-nitrophenyl)sulfonylamino]benzamide is O=C(NCc1ccccc1)c1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1.
What is the InChIKey of N-benzyl-3-[(3-nitrophenyl)sulfonylamino]benzamide?
The InChIKey is FKTAURSFQMNCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O5S/c24-20(21-14-15-6-2-1-3-7-15)16-8-4-9-17(12-16)22-29(27,28)19-11-5-10-18(13-19)23(25)26/h1-13,22H,14H2,(H,21,24).
What are the key properties of N-benzyl-3-[(3-nitrophenyl)sulfonylamino]benzamide?
N-benzyl-3-[(3-nitrophenyl)sulfonylamino]benzamide has a molecular weight of 411.44 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(3-nitrophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 22773246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).