4-{[(4-Methylphenyl)sulfonyl]amino}butanoic Acid - CAS 1213-42-9
Catalog: |
BB061733 |
Product Name: |
4-{[(4-Methylphenyl)sulfonyl]amino}butanoic Acid |
CAS: |
1213-42-9 |
Synonyms: |
4-{[(4-methylphenyl)sulfonyl]amino}butanoic acid; 4-(4-methylbenzenesulfonamido)butanoic acid; 4-(Toluene-4-sulfonylamino)-butyric acid; 4-(4-methylphenylsulfonamido)butanoic acid; 4-[(4-methylphenyl)sulfonylamino]butanoic acid; 4-([(4-Methylphenyl)sulfonyl]amino)butanoic acid; Butanoic acid, 4-[[(4-methylphenyl)sulfonyl]amino]- |
IUPAC Name: | 4-[(4-methylphenyl)sulfonylamino]butanoic acid |
Molecular Weight: | 257.31 |
Molecular Formula: | C11H15NO4S |
Canonical SMILES: | CC1=CC=C(C=C1)S(=O)(=O)NCCCC(=O)O |
InChI: | InChI=1S/C11H15NO4S/c1-9-4-6-10(7-5-9)17(15,16)12-8-2-3-11(13)14/h4-7,12H,2-3,8H2,1H3,(H,13,14) |
InChI Key: | QCMWSRRLJGMSQP-UHFFFAOYSA-N |
Complexity: | 339 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 257.07217913 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 257.07217913 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 91.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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