2-nitro-N-phenyl-N-(3-trimethoxysilylpropyl)benzenesulfonamide

C18H24N2O7SSi — CID 90145322

IUPAC2-nitro-N-phenyl-N-(3-trimethoxysilylpropyl)benzenesulfonamide
SMILESCO[Si](CCCN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])(OC)OC
InChIInChI=1S/C18H24N2O7SSi/c1-25-29(26-2,27-3)15-9-14-19(16-10-5-4-6-11-16)28(23,24)18-13-8-7-12-17(18)20(21)22/h4-8,10-13H,9,14-15H2,1-3H3
InChIKeyXZPSKSYXZHIMBZ-UHFFFAOYSA-N
MW440.55 g/mol
LogP3.06
Rot. Bonds11

About 2-nitro-N-phenyl-N-(3-trimethoxysilylpropyl)benzenesulfonamide

2-nitro-N-phenyl-N-(3-trimethoxysilylpropyl)benzenesulfonamide (PubChem CID 90145322) has the molecular formula C18H24N2O7SSi and a molecular weight of 440.55 g/mol. Its IUPAC name is 2-nitro-N-phenyl-N-(3-trimethoxysilylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-nitro-N-phenyl-N-(3-trimethoxysilylpropyl)benzenesulfonamide
PubChem CID90145322
Molecular FormulaC18H24N2O7SSi
Molecular Weight440.55 g/mol
Exact Mass440.11
IUPAC Name2-nitro-N-phenyl-N-(3-trimethoxysilylpropyl)benzenesulfonamide
SMILESCO[Si](CCCN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])(OC)OC
InChIInChI=1S/C18H24N2O7SSi/c1-25-29(26-2,27-3)15-9-14-19(16-10-5-4-6-11-16)28(23,24)18-13-8-7-12-17(18)20(21)22/h4-8,10-13H,9,14-15H2,1-3H3
InChIKeyXZPSKSYXZHIMBZ-UHFFFAOYSA-N
XLogP3.06
TPSA108.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-nitro-N-phenyl-N-propylbenzenesulfonamide
CID 167167551
2-nitro-N-[2-(oxiran-2-yl)ethyl]-N-phenylbenzenesulfonamide
CID 58097192
3-(4-methyl-N-(2-nitrophenyl)sulfonylanilino)propanoic acid
CID 50889885
N-[[2-[3-(dimethylamino)propoxy]phenyl]methyl]-2-nitro-N-phenylbenzenesulfonamide
CID 22276360
3-(4-chloro-N-(2-nitrophenyl)sulfonylanilino)propanoic acid
CID 50890349
N,N-diethyl-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 30173681
2-nitro-N-[[(2R)-oxiran-2-yl]methyl]-N-phenylbenzenesulfonamide
CID 847208
2-(2-methoxy-N-(2-nitrophenyl)sulfonylanilino)acetic acid
CID 50891057
4-(5-chloro-2-methoxy-N-(2-nitrophenyl)sulfonylanilino)butanoic acid
CID 50895272
N-(2-methoxyethyl)-N-methyl-2-nitrobenzenesulfonamide
CID 47306069
N-[3-(4-benzoylpiperidin-1-yl)propyl]-2-nitro-N-phenylbenzenesulfonamide
CID 22026028
N-benzyl-N-methyl-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 30173687

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-phenyl-N-(3-trimethoxysilylpropyl)benzenesulfonamide?
The IUPAC name of 2-nitro-N-phenyl-N-(3-trimethoxysilylpropyl)benzenesulfonamide (CID 90145322) is 2-nitro-N-phenyl-N-(3-trimethoxysilylpropyl)benzenesulfonamide.
What is the SMILES notation for 2-nitro-N-phenyl-N-(3-trimethoxysilylpropyl)benzenesulfonamide?
The canonical SMILES for 2-nitro-N-phenyl-N-(3-trimethoxysilylpropyl)benzenesulfonamide is CO[Si](CCCN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])(OC)OC.
What is the InChIKey of 2-nitro-N-phenyl-N-(3-trimethoxysilylpropyl)benzenesulfonamide?
The InChIKey is XZPSKSYXZHIMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O7SSi/c1-25-29(26-2,27-3)15-9-14-19(16-10-5-4-6-11-16)28(23,24)18-13-8-7-12-17(18)20(21)22/h4-8,10-13H,9,14-15H2,1-3H3.
What are the key properties of 2-nitro-N-phenyl-N-(3-trimethoxysilylpropyl)benzenesulfonamide?
2-nitro-N-phenyl-N-(3-trimethoxysilylpropyl)benzenesulfonamide has a molecular weight of 440.55 g/mol, XLogP of 3.06, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-phenyl-N-(3-trimethoxysilylpropyl)benzenesulfonamide is sourced from PubChem (CID 90145322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).