4-[[2-(N-(2-nitrophenyl)sulfonylanilino)acetyl]amino]benzamide

C21H18N4O6S — CID 51345106

IUPAC4-[[2-(N-(2-nitrophenyl)sulfonylanilino)acetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C21H18N4O6S/c22-21(27)15-10-12-16(13-11-15)23-20(26)14-24(17-6-2-1-3-7-17)32(30,31)19-9-5-4-8-18(19)25(28)29/h1-13H,14H2,(H2,22,27)(H,23,26)
InChIKeyJNUGRHLWFOLECV-UHFFFAOYSA-N
MW454.46 g/mol
LogP2.53
Rot. Bonds8

About 4-[[2-(N-(2-nitrophenyl)sulfonylanilino)acetyl]amino]benzamide

4-[[2-(N-(2-nitrophenyl)sulfonylanilino)acetyl]amino]benzamide (PubChem CID 51345106) has the molecular formula C21H18N4O6S and a molecular weight of 454.46 g/mol. Its IUPAC name is 4-[[2-(N-(2-nitrophenyl)sulfonylanilino)acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-(N-(2-nitrophenyl)sulfonylanilino)acetyl]amino]benzamide
PubChem CID51345106
Molecular FormulaC21H18N4O6S
Molecular Weight454.46 g/mol
Exact Mass454.09
IUPAC Name4-[[2-(N-(2-nitrophenyl)sulfonylanilino)acetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C21H18N4O6S/c22-21(27)15-10-12-16(13-11-15)23-20(26)14-24(17-6-2-1-3-7-17)32(30,31)19-9-5-4-8-18(19)25(28)29/h1-13H,14H2,(H2,22,27)(H,23,26)
InChIKeyJNUGRHLWFOLECV-UHFFFAOYSA-N
XLogP2.53
TPSA152.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.46
LogP ≤ 52.53
H-Bond Donors ≤ 52
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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Related Compounds

N-(3-fluorophenyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 1318812
N-(3-chloro-4-fluorophenyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 1310867
N-(3-methylsulfanylphenyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 1320235
N-(2,6-difluorophenyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 2209477
4-[(Z)-[[2-(N-(2-nitrophenyl)sulfonylanilino)acetyl]hydrazinylidene]methyl]benzoic acid
CID 28588777
2-(N-(2-nitrophenyl)sulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 1319342
N-[(Z)-(4-nitrophenyl)methylideneamino]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 28588758
N-(2-hydrazinyl-2-oxoethyl)-N-(4-methylphenyl)-2-nitrobenzenesulfonamide
CID 50889864
N-[(E)-(2,6-dichlorophenyl)methylideneamino]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 43879296
N,N-diethyl-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 30173681
2-(4-fluoro-N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 50890619
N-(cyclododecylideneamino)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 2854777

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(N-(2-nitrophenyl)sulfonylanilino)acetyl]amino]benzamide?
The IUPAC name of 4-[[2-(N-(2-nitrophenyl)sulfonylanilino)acetyl]amino]benzamide (CID 51345106) is 4-[[2-(N-(2-nitrophenyl)sulfonylanilino)acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-(N-(2-nitrophenyl)sulfonylanilino)acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-(N-(2-nitrophenyl)sulfonylanilino)acetyl]amino]benzamide is NC(=O)c1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of 4-[[2-(N-(2-nitrophenyl)sulfonylanilino)acetyl]amino]benzamide?
The InChIKey is JNUGRHLWFOLECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O6S/c22-21(27)15-10-12-16(13-11-15)23-20(26)14-24(17-6-2-1-3-7-17)32(30,31)19-9-5-4-8-18(19)25(28)29/h1-13H,14H2,(H2,22,27)(H,23,26).
What are the key properties of 4-[[2-(N-(2-nitrophenyl)sulfonylanilino)acetyl]amino]benzamide?
4-[[2-(N-(2-nitrophenyl)sulfonylanilino)acetyl]amino]benzamide has a molecular weight of 454.46 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(N-(2-nitrophenyl)sulfonylanilino)acetyl]amino]benzamide is sourced from PubChem (CID 51345106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).