N-[4-[(3-nitrophenyl)sulfonylamino]phenyl]sulfonylbenzamide

C19H15N3O7S2 — CID 22772942

IUPACN-[4-[(3-nitrophenyl)sulfonylamino]phenyl]sulfonylbenzamide
SMILESO=C(NS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1
InChIInChI=1S/C19H15N3O7S2/c23-19(14-5-2-1-3-6-14)21-30(26,27)17-11-9-15(10-12-17)20-31(28,29)18-8-4-7-16(13-18)22(24)25/h1-13,20H,(H,21,23)
InChIKeyUZFQCGCRKSEMOR-UHFFFAOYSA-N
MW461.48 g/mol
LogP2.51
Rot. Bonds7

About N-[4-[(3-nitrophenyl)sulfonylamino]phenyl]sulfonylbenzamide

N-[4-[(3-nitrophenyl)sulfonylamino]phenyl]sulfonylbenzamide (PubChem CID 22772942) has the molecular formula C19H15N3O7S2 and a molecular weight of 461.48 g/mol. Its IUPAC name is N-[4-[(3-nitrophenyl)sulfonylamino]phenyl]sulfonylbenzamide.

Molecular Properties

Compound NameN-[4-[(3-nitrophenyl)sulfonylamino]phenyl]sulfonylbenzamide
PubChem CID22772942
Molecular FormulaC19H15N3O7S2
Molecular Weight461.48 g/mol
Exact Mass461.04
IUPAC NameN-[4-[(3-nitrophenyl)sulfonylamino]phenyl]sulfonylbenzamide
SMILESO=C(NS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1
InChIInChI=1S/C19H15N3O7S2/c23-19(14-5-2-1-3-6-14)21-30(26,27)17-11-9-15(10-12-17)20-31(28,29)18-8-4-7-16(13-18)22(24)25/h1-13,20H,(H,21,23)
InChIKeyUZFQCGCRKSEMOR-UHFFFAOYSA-N
XLogP2.51
TPSA152.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.48
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-(2-phenylethyl)benzamide
CID 18108738
N-[4-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]-3-nitrobenzenesulfonamide
CID 27605649
N-(4-fluorophenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide
CID 26594001
4-[(3-nitrophenyl)sulfonylamino]-N-propylbenzamide
CID 18104911
N-[4-(benzenesulfonamido)phenyl]-4-nitrobenzamide
CID 4230434
3-[(3-nitrophenyl)sulfonylamino]benzoate
CID 7452082
N-(4-bromophenyl)-3-nitrobenzenesulfonamide
CID 598510
N-benzyl-3-[(3-nitrophenyl)sulfonylamino]benzamide
CID 22773246
4-[(3-nitrophenyl)sulfonylamino]-N-(2-phenylbutyl)benzamide
CID 55438238
4-[(3-nitrophenyl)sulfonylamino]-N-(5-phenyl-2-pyridinyl)benzamide
CID 55951039
4-[(3-nitrophenyl)sulfonylamino]-N-(3-phenylsulfanylpropyl)benzamide
CID 27828970
N-[4-(cyclopropanecarbonyl)phenyl]-3-nitrobenzenesulfonamide
CID 110604241

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-nitrophenyl)sulfonylamino]phenyl]sulfonylbenzamide?
The IUPAC name of N-[4-[(3-nitrophenyl)sulfonylamino]phenyl]sulfonylbenzamide (CID 22772942) is N-[4-[(3-nitrophenyl)sulfonylamino]phenyl]sulfonylbenzamide.
What is the SMILES notation for N-[4-[(3-nitrophenyl)sulfonylamino]phenyl]sulfonylbenzamide?
The canonical SMILES for N-[4-[(3-nitrophenyl)sulfonylamino]phenyl]sulfonylbenzamide is O=C(NS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccccc1.
What is the InChIKey of N-[4-[(3-nitrophenyl)sulfonylamino]phenyl]sulfonylbenzamide?
The InChIKey is UZFQCGCRKSEMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O7S2/c23-19(14-5-2-1-3-6-14)21-30(26,27)17-11-9-15(10-12-17)20-31(28,29)18-8-4-7-16(13-18)22(24)25/h1-13,20H,(H,21,23).
What are the key properties of N-[4-[(3-nitrophenyl)sulfonylamino]phenyl]sulfonylbenzamide?
N-[4-[(3-nitrophenyl)sulfonylamino]phenyl]sulfonylbenzamide has a molecular weight of 461.48 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-nitrophenyl)sulfonylamino]phenyl]sulfonylbenzamide is sourced from PubChem (CID 22772942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).