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70682-63-2 | 2-Naphthalenesulfonamide,6-hydroxy-N-(2-hydroxyethyl)-N-methyl-
CAS No: 70682-63-2 Catalog No: AG005SUD MDL No:
Product Description
Catalog Number:
AG005SUD
Chemical Name:
2-Naphthalenesulfonamide,6-hydroxy-N-(2-hydroxyethyl)-N-methyl-
CAS Number:
70682-63-2
Molecular Formula:
C13H15NO4S
Molecular Weight:
281.3275
IUPAC Name:
6-hydroxy-N-(2-hydroxyethyl)-N-methylnaphthalene-2-sulfonamide
InChI:
InChI=1S/C13H15NO4S/c1-14(6-7-15)19(17,18)13-5-3-10-8-12(16)4-2-11(10)9-13/h2-5,8-9,15-16H,6-7H2,1H3
InChI Key:
BNGPSCLHKGSOLB-UHFFFAOYSA-N
SMILES:
OCCN(S(=O)(=O)c1ccc2c(c1)ccc(c2)O)C
EC Number:
274-743-6
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.072g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
281.326g/mol
Monoisotopic Mass:
281.072g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
86.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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