2-[(3-nitrophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide

C21H19N3O5S — CID 2968335

IUPAC2-[(3-nitrophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1
InChIInChI=1S/C21H19N3O5S/c1-15(16-8-3-2-4-9-16)22-21(25)19-12-5-6-13-20(19)23-30(28,29)18-11-7-10-17(14-18)24(26)27/h2-15,23H,1H3,(H,22,25)
InChIKeyMZFOAPQERVQLIZ-UHFFFAOYSA-N
MW425.47 g/mol
LogP3.89
Rot. Bonds7

About 2-[(3-nitrophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide

2-[(3-nitrophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide (PubChem CID 2968335) has the molecular formula C21H19N3O5S and a molecular weight of 425.47 g/mol. Its IUPAC name is 2-[(3-nitrophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name2-[(3-nitrophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
PubChem CID2968335
Molecular FormulaC21H19N3O5S
Molecular Weight425.47 g/mol
Exact Mass425.10
IUPAC Name2-[(3-nitrophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1
InChIInChI=1S/C21H19N3O5S/c1-15(16-8-3-2-4-9-16)22-21(25)19-12-5-6-13-20(19)23-30(28,29)18-11-7-10-17(14-18)24(26)27/h2-15,23H,1H3,(H,22,25)
InChIKeyMZFOAPQERVQLIZ-UHFFFAOYSA-N
XLogP3.89
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.47
LogP ≤ 53.89
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

2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 43012060
2-(naphthalen-2-ylsulfonylamino)-N-[(1R)-1-phenylethyl]benzamide
CID 2219459
2-[(3,4-difluorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 8002055
2-[(3-nitrophenyl)sulfonylamino]-N-propylbenzamide
CID 2966829
2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 42917034
N-[2-[[(2-fluorobenzoyl)amino]carbamoyl]phenyl]-3-nitrobenzenesulfonamide
CID 55362792
3,5-dinitro-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 4935085
2-(benzenesulfonamido)-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide
CID 100620253
2-[(2-oxochromen-6-yl)sulfonylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 30713520
2-[(4-ethoxyphenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 126184661
N,N-bis(2-methoxyethyl)-2-[(3-nitrophenyl)sulfonylamino]benzamide
CID 55531044
[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-[(3-nitrophenyl)sulfonylamino]benzoate
CID 16796569

Frequently Asked Questions

What is the IUPAC name of 2-[(3-nitrophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide?
The IUPAC name of 2-[(3-nitrophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide (CID 2968335) is 2-[(3-nitrophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 2-[(3-nitrophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 2-[(3-nitrophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide is CC(NC(=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1.
What is the InChIKey of 2-[(3-nitrophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide?
The InChIKey is MZFOAPQERVQLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O5S/c1-15(16-8-3-2-4-9-16)22-21(25)19-12-5-6-13-20(19)23-30(28,29)18-11-7-10-17(14-18)24(26)27/h2-15,23H,1H3,(H,22,25).
What are the key properties of 2-[(3-nitrophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide?
2-[(3-nitrophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide has a molecular weight of 425.47 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-nitrophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 2968335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).