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71458-89-4 | 2-(benzenesulfonyl)ethane-1-sulfonamide
CAS No: 71458-89-4 Catalog No: AG019S8P MDL No:MFCD20441776
Product Description
Catalog Number:
AG019S8P
Chemical Name:
2-(benzenesulfonyl)ethane-1-sulfonamide
CAS Number:
71458-89-4
Molecular Formula:
C8H11NO4S2
Molecular Weight:
249.3072
MDL Number:
MFCD20441776
IUPAC Name:
2-(benzenesulfonyl)ethanesulfonamide
InChI:
InChI=1S/C8H11NO4S2/c9-15(12,13)7-6-14(10,11)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,9,12,13)
InChI Key:
AQCVOWKOERXDEZ-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ccccc1)CCS(=O)(=O)N
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.013g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.299g/mol
Monoisotopic Mass:
249.013g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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