4-methyl-N-[2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]benzenesulfonamide

C16H25NO2SSi — CID 11427290

IUPAC4-methyl-N-[2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCC=C2C[Si](C)(C)C)cc1
InChIInChI=1S/C16H25NO2SSi/c1-13-8-10-15(11-9-13)20(18,19)17-16-7-5-6-14(16)12-21(2,3)4/h6,8-11,16-17H,5,7,12H2,1-4H3
InChIKeyBFDJKCLPTHMSOZ-UHFFFAOYSA-N
MW323.53 g/mol
LogP3.70
Rot. Bonds5

About 4-methyl-N-[2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]benzenesulfonamide

4-methyl-N-[2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]benzenesulfonamide (PubChem CID 11427290) has the molecular formula C16H25NO2SSi and a molecular weight of 323.53 g/mol. Its IUPAC name is 4-methyl-N-[2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]benzenesulfonamide
PubChem CID11427290
Molecular FormulaC16H25NO2SSi
Molecular Weight323.53 g/mol
Exact Mass323.14
IUPAC Name4-methyl-N-[2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCC=C2C[Si](C)(C)C)cc1
InChIInChI=1S/C16H25NO2SSi/c1-13-8-10-15(11-9-13)20(18,19)17-16-7-5-6-14(16)12-21(2,3)4/h6,8-11,16-17H,5,7,12H2,1-4H3
InChIKeyBFDJKCLPTHMSOZ-UHFFFAOYSA-N
XLogP3.70
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.53
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-Cyclohexyl-4-methylbenzenesulfonamide
CID 6633
N-Ethyl-p-toluenesulfonamide
CID 6637
N-Butyl-p-toluenesulfonamide
CID 61285
N-cyclopropyl-4-methylbenzene-1-sulfonamide
CID 4190095
(2-Cyclohex-1-enylethyl)[(4-methylphenyl)sulfonyl]amine
CID 737669
N-cycloheptyl-4-methylbenzenesulfonamide
CID 668969
Cyclopentyl{[4-(methylethyl)phenyl]sulfonyl}amine
CID 6469335
4-methyl-N-pentan-2-ylbenzenesulfonamide
CID 3703019
N-cyclooctyl-4-methylbenzenesulfonamide
CID 260972
N-Propyl-p-toluenesulfonamide
CID 70808
p-Toluenesulfonamide, N-isobutyl-
CID 101310
4-methyl-N-(prop-2-en-1-yl)benzene-1-sulfonamide
CID 297877

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]benzenesulfonamide (CID 11427290) is 4-methyl-N-[2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CCC=C2C[Si](C)(C)C)cc1.
What is the InChIKey of 4-methyl-N-[2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]benzenesulfonamide?
The InChIKey is BFDJKCLPTHMSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2SSi/c1-13-8-10-15(11-9-13)20(18,19)17-16-7-5-6-14(16)12-21(2,3)4/h6,8-11,16-17H,5,7,12H2,1-4H3.
What are the key properties of 4-methyl-N-[2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]benzenesulfonamide?
4-methyl-N-[2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]benzenesulfonamide has a molecular weight of 323.53 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(trimethylsilylmethyl)cyclopent-2-en-1-yl]benzenesulfonamide is sourced from PubChem (CID 11427290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).