4-[(3-nitrophenyl)sulfonylamino]-N-(2-phenylbutyl)benzamide

C23H23N3O5S — CID 55438238

IUPAC4-[(3-nitrophenyl)sulfonylamino]-N-(2-phenylbutyl)benzamide
SMILESCCC(CNC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1
InChIInChI=1S/C23H23N3O5S/c1-2-17(18-7-4-3-5-8-18)16-24-23(27)19-11-13-20(14-12-19)25-32(30,31)22-10-6-9-21(15-22)26(28)29/h3-15,17,25H,2,16H2,1H3,(H,24,27)
InChIKeyVKTGEFVMQUKQMJ-UHFFFAOYSA-N
MW453.52 g/mol
LogP4.32
Rot. Bonds9

About 4-[(3-nitrophenyl)sulfonylamino]-N-(2-phenylbutyl)benzamide

4-[(3-nitrophenyl)sulfonylamino]-N-(2-phenylbutyl)benzamide (PubChem CID 55438238) has the molecular formula C23H23N3O5S and a molecular weight of 453.52 g/mol. Its IUPAC name is 4-[(3-nitrophenyl)sulfonylamino]-N-(2-phenylbutyl)benzamide.

Molecular Properties

Compound Name4-[(3-nitrophenyl)sulfonylamino]-N-(2-phenylbutyl)benzamide
PubChem CID55438238
Molecular FormulaC23H23N3O5S
Molecular Weight453.52 g/mol
Exact Mass453.14
IUPAC Name4-[(3-nitrophenyl)sulfonylamino]-N-(2-phenylbutyl)benzamide
SMILESCCC(CNC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1
InChIInChI=1S/C23H23N3O5S/c1-2-17(18-7-4-3-5-8-18)16-24-23(27)19-11-13-20(14-12-19)25-32(30,31)22-10-6-9-21(15-22)26(28)29/h3-15,17,25H,2,16H2,1H3,(H,24,27)
InChIKeyVKTGEFVMQUKQMJ-UHFFFAOYSA-N
XLogP4.32
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 54.32
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

4-[(3-nitrophenyl)sulfonylamino]-N-propylbenzamide
CID 18104911
4-[(3-nitrophenyl)sulfonylamino]-N-(2-phenylethyl)benzamide
CID 18108738
4-[(3-nitrophenyl)sulfonylamino]-N-(3-phenylsulfanylpropyl)benzamide
CID 27828970
4-[(3-nitrophenyl)sulfonylamino]-N-pentan-2-ylbenzamide
CID 43016512
4-(methanesulfonamido)-N-(2-phenylbutyl)benzamide
CID 46510116
4-[(3-nitrophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)benzamide
CID 18107687
N-(3-ethylphenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide
CID 46650990
N-[4-[(3-nitrophenyl)sulfonylamino]phenyl]sulfonylbenzamide
CID 22772942
N-[3-(N-methylanilino)propyl]-4-[(3-nitrophenyl)sulfonylamino]benzamide
CID 27753837
4-[(3-nitrophenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7724531
N-(2-ethyl-6-methylphenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide
CID 112770780
N-(4-fluorophenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide
CID 26594001

Frequently Asked Questions

What is the IUPAC name of 4-[(3-nitrophenyl)sulfonylamino]-N-(2-phenylbutyl)benzamide?
The IUPAC name of 4-[(3-nitrophenyl)sulfonylamino]-N-(2-phenylbutyl)benzamide (CID 55438238) is 4-[(3-nitrophenyl)sulfonylamino]-N-(2-phenylbutyl)benzamide.
What is the SMILES notation for 4-[(3-nitrophenyl)sulfonylamino]-N-(2-phenylbutyl)benzamide?
The canonical SMILES for 4-[(3-nitrophenyl)sulfonylamino]-N-(2-phenylbutyl)benzamide is CCC(CNC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1.
What is the InChIKey of 4-[(3-nitrophenyl)sulfonylamino]-N-(2-phenylbutyl)benzamide?
The InChIKey is VKTGEFVMQUKQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5S/c1-2-17(18-7-4-3-5-8-18)16-24-23(27)19-11-13-20(14-12-19)25-32(30,31)22-10-6-9-21(15-22)26(28)29/h3-15,17,25H,2,16H2,1H3,(H,24,27).
What are the key properties of 4-[(3-nitrophenyl)sulfonylamino]-N-(2-phenylbutyl)benzamide?
4-[(3-nitrophenyl)sulfonylamino]-N-(2-phenylbutyl)benzamide has a molecular weight of 453.52 g/mol, XLogP of 4.32, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-nitrophenyl)sulfonylamino]-N-(2-phenylbutyl)benzamide is sourced from PubChem (CID 55438238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).