4-methyl-N-nitro-N-trimethylsilylbenzenesulfonamide

C10H16N2O4SSi — CID 71381685

IUPAC4-methyl-N-nitro-N-trimethylsilylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N([N+](=O)[O-])[Si](C)(C)C)cc1
InChIInChI=1S/C10H16N2O4SSi/c1-9-5-7-10(8-6-9)17(15,16)12(11(13)14)18(2,3)4/h5-8H,1-4H3
InChIKeyOTJIXUXNCAXPKW-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.01
Rot. Bonds4

About 4-methyl-N-nitro-N-trimethylsilylbenzenesulfonamide

4-methyl-N-nitro-N-trimethylsilylbenzenesulfonamide (PubChem CID 71381685) has the molecular formula C10H16N2O4SSi and a molecular weight of 288.40 g/mol. Its IUPAC name is 4-methyl-N-nitro-N-trimethylsilylbenzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-nitro-N-trimethylsilylbenzenesulfonamide
PubChem CID71381685
Molecular FormulaC10H16N2O4SSi
Molecular Weight288.40 g/mol
Exact Mass288.06
IUPAC Name4-methyl-N-nitro-N-trimethylsilylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N([N+](=O)[O-])[Si](C)(C)C)cc1
InChIInChI=1S/C10H16N2O4SSi/c1-9-5-7-10(8-6-9)17(15,16)12(11(13)14)18(2,3)4/h5-8H,1-4H3
InChIKeyOTJIXUXNCAXPKW-UHFFFAOYSA-N
XLogP2.01
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.01
H-Bond Donors ≤ 50
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': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 2252474
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088
N-[[[dimethyl-[[methyl-(4-methylphenyl)sulfonylamino]methyl]silyl]oxy-dimethylsilyl]methyl]-N,4-dimethylbenzenesulfonamide
CID 164683181
N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 800890
1,1,3,3-tetrakis-(4-methylphenyl)sulfonylurea
CID 91209973
sodium;N,N-dichloro-4-methylbenzenesulfonamide;hydride
CID 173126628
1-methyl-4-[4-[4-(4-methylphenyl)phenyl]sulfonylphenyl]benzene;1-methyl-4-[4-[4-[4-(4-methylphenyl)phenyl]sulfonylphenyl]phenyl]benzene;1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]benzene;1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]phenyl]benzene
CID 161103806
methanol;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 157486771
methanamine;bis(1-methyl-4-(4-methylphenyl)sulfonylbenzene)
CID 23341933
1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 158182934
4-methyl-N,N-bis(sulfanylmethyl)benzenesulfonamide
CID 122393288
4-methylbenzenesulfonic acid;hydrobromide
CID 87724042

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-nitro-N-trimethylsilylbenzenesulfonamide?
The IUPAC name of 4-methyl-N-nitro-N-trimethylsilylbenzenesulfonamide (CID 71381685) is 4-methyl-N-nitro-N-trimethylsilylbenzenesulfonamide.
What is the SMILES notation for 4-methyl-N-nitro-N-trimethylsilylbenzenesulfonamide?
The canonical SMILES for 4-methyl-N-nitro-N-trimethylsilylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N([N+](=O)[O-])[Si](C)(C)C)cc1.
What is the InChIKey of 4-methyl-N-nitro-N-trimethylsilylbenzenesulfonamide?
The InChIKey is OTJIXUXNCAXPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4SSi/c1-9-5-7-10(8-6-9)17(15,16)12(11(13)14)18(2,3)4/h5-8H,1-4H3.
What are the key properties of 4-methyl-N-nitro-N-trimethylsilylbenzenesulfonamide?
4-methyl-N-nitro-N-trimethylsilylbenzenesulfonamide has a molecular weight of 288.40 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-nitro-N-trimethylsilylbenzenesulfonamide is sourced from PubChem (CID 71381685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).