4-(Cyclopentanesulfonyl)aniline - CAS 86810-83-5
Catalog: |
BB069083 |
Product Name: |
4-(Cyclopentanesulfonyl)aniline |
CAS: |
86810-83-5 |
Synonyms: |
4-(cyclopentylsulfonyl)aniline; 4-(Cyclopentanesulfonyl)aniline; 4-cyclopentylsulfonylaniline |
IUPAC Name: | 4-cyclopentylsulfonylaniline |
Description: | 4-(Cyclopentanesulfonyl)aniline |
Molecular Weight: | 225.31 |
Molecular Formula: | C11H15NO2S |
Canonical SMILES: | C1CCC(C1)S(=O)(=O)C2=CC=C(C=C2)N |
InChI: | InChI=1S/C11H15NO2S/c12-9-5-7-11(8-6-9)15(13,14)10-3-1-2-4-10/h5-8,10H,1-4,12H2 |
InChI Key: | RVGOJORVZBRFCG-UHFFFAOYSA-N |
Complexity: | 293 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 225.08234989 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 225.08234989 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 68.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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