N-[tert-butyl(diphenyl)silyl]-3-nitrobenzenesulfonamide

C22H24N2O4SSi — CID 163394106

IUPACN-[tert-butyl(diphenyl)silyl]-3-nitrobenzenesulfonamide
SMILESCC(C)(C)[Si](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24N2O4SSi/c1-22(2,3)30(20-13-6-4-7-14-20,21-15-8-5-9-16-21)23-29(27,28)19-12-10-11-18(17-19)24(25)26/h4-17,23H,1-3H3
InChIKeyDJKKZTFFXDDBGE-UHFFFAOYSA-N
MW440.60 g/mol
LogP3.43
Rot. Bonds6

About N-[tert-butyl(diphenyl)silyl]-3-nitrobenzenesulfonamide

N-[tert-butyl(diphenyl)silyl]-3-nitrobenzenesulfonamide (PubChem CID 163394106) has the molecular formula C22H24N2O4SSi and a molecular weight of 440.60 g/mol. Its IUPAC name is N-[tert-butyl(diphenyl)silyl]-3-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-[tert-butyl(diphenyl)silyl]-3-nitrobenzenesulfonamide
PubChem CID163394106
Molecular FormulaC22H24N2O4SSi
Molecular Weight440.60 g/mol
Exact Mass440.12
IUPAC NameN-[tert-butyl(diphenyl)silyl]-3-nitrobenzenesulfonamide
SMILESCC(C)(C)[Si](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24N2O4SSi/c1-22(2,3)30(20-13-6-4-7-14-20,21-15-8-5-9-16-21)23-29(27,28)19-12-10-11-18(17-19)24(25)26/h4-17,23H,1-3H3
InChIKeyDJKKZTFFXDDBGE-UHFFFAOYSA-N
XLogP3.43
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.60
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N'-(benzenesulfonyl)-3-nitrobenzenesulfonohydrazide
CID 100974954
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-nitrobenzenesulfonamide
CID 104626488
N'-methyl-3-nitrobenzenesulfonohydrazide
CID 67127032
3-nitro-N-(5-phenyl-2-pyridinyl)benzenesulfonamide
CID 110634701
N-(2-hydroxy-2-methylpropyl)-3-nitrobenzenesulfonamide
CID 65112756
silver 3-nitrobenzenesulfonate
CID 139842266
N-(2-tert-butylsulfanylethyl)-3-nitrobenzenesulfonamide
CID 2966976
3-nitro-N-pyridin-1-ium-1-ylbenzenesulfonamide
CID 135121721
N-(1-methyl-5-phenylpyrazol-4-yl)-3-nitrobenzenesulfonamide
CID 110664831
(2S)-2-[(3-nitrophenyl)sulfonylamino]propanoic acid
CID 30080051
2-[(3-nitrophenyl)sulfonylamino]propanoic acid
CID 16785952
N-(2-cyano-2-methylpropyl)-3-nitrobenzenesulfonamide
CID 104626574

Frequently Asked Questions

What is the IUPAC name of N-[tert-butyl(diphenyl)silyl]-3-nitrobenzenesulfonamide?
The IUPAC name of N-[tert-butyl(diphenyl)silyl]-3-nitrobenzenesulfonamide (CID 163394106) is N-[tert-butyl(diphenyl)silyl]-3-nitrobenzenesulfonamide.
What is the SMILES notation for N-[tert-butyl(diphenyl)silyl]-3-nitrobenzenesulfonamide?
The canonical SMILES for N-[tert-butyl(diphenyl)silyl]-3-nitrobenzenesulfonamide is CC(C)(C)[Si](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[tert-butyl(diphenyl)silyl]-3-nitrobenzenesulfonamide?
The InChIKey is DJKKZTFFXDDBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4SSi/c1-22(2,3)30(20-13-6-4-7-14-20,21-15-8-5-9-16-21)23-29(27,28)19-12-10-11-18(17-19)24(25)26/h4-17,23H,1-3H3.
What are the key properties of N-[tert-butyl(diphenyl)silyl]-3-nitrobenzenesulfonamide?
N-[tert-butyl(diphenyl)silyl]-3-nitrobenzenesulfonamide has a molecular weight of 440.60 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[tert-butyl(diphenyl)silyl]-3-nitrobenzenesulfonamide is sourced from PubChem (CID 163394106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).