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Home > Sulfanilamide > 1354954-59-8
1354954-59-8 | 3-(ethanesulfonyl)-4-methylbenzene-1-sulfonamide
CAS No: 1354954-59-8 Catalog No: AG019SX4 MDL No:MFCD20502261
Product Description
Catalog Number:
AG019SX4
Chemical Name:
3-(ethanesulfonyl)-4-methylbenzene-1-sulfonamide
CAS Number:
1354954-59-8
Molecular Formula:
C9H13NO4S2
Molecular Weight:
263.3338
MDL Number:
MFCD20502261
IUPAC Name:
3-ethylsulfonyl-4-methylbenzenesulfonamide
InChI:
InChI=1S/C9H13NO4S2/c1-3-15(11,12)9-6-8(16(10,13)14)5-4-7(9)2/h4-6H,3H2,1-2H3,(H2,10,13,14)
InChI Key:
AVHPNCZYJGEYJZ-UHFFFAOYSA-N
SMILES:
CCS(=O)(=O)c1cc(ccc1C)S(=O)(=O)N
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.029g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.326g/mol
Monoisotopic Mass:
263.029g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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