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108966-56-9 | 4-[(3-HYDROXY-3-METHYLBUTYL)SULFONYL]BENZENESULFONAMIDE
CAS No: 108966-56-9 Catalog No: AG007TSS MDL No:
Product Description
Catalog Number:
AG007TSS
Chemical Name:
4-[(3-HYDROXY-3-METHYLBUTYL)SULFONYL]BENZENESULFONAMIDE
CAS Number:
108966-56-9
Molecular Formula:
C11H17NO5S2
Molecular Weight:
307.3864
IUPAC Name:
4-(3-hydroxy-3-methylbutyl)sulfonylbenzenesulfonamide
InChI:
InChI=1S/C11H17NO5S2/c1-11(2,13)7-8-18(14,15)9-3-5-10(6-4-9)19(12,16)17/h3-6,13H,7-8H2,1-2H3,(H2,12,16,17)
InChI Key:
CGAONTKAHYNZSM-UHFFFAOYSA-N
SMILES:
CC(CCS(=O)(=O)c1ccc(cc1)S(=O)(=O)N)(O)C
Properties
Complexity:
490
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.055g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
307.379g/mol
Monoisotopic Mass:
307.055g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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