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108966-55-8 | 4-[(3-HYDROXYPROPYL)SULFONYL]BENZENESULFONAMIDE
CAS No: 108966-55-8 Catalog No: AG0082XL MDL No:
Product Description
Catalog Number:
AG0082XL
Chemical Name:
4-[(3-HYDROXYPROPYL)SULFONYL]BENZENESULFONAMIDE
CAS Number:
108966-55-8
Molecular Formula:
C9H13NO5S2
Molecular Weight:
279.3332
IUPAC Name:
4-(3-hydroxypropylsulfonyl)benzenesulfonamide
InChI:
InChI=1S/C9H13NO5S2/c10-17(14,15)9-4-2-8(3-5-9)16(12,13)7-1-6-11/h2-5,11H,1,6-7H2,(H2,10,14,15)
InChI Key:
OUYRCRDEKNDXJI-UHFFFAOYSA-N
SMILES:
OCCCS(=O)(=O)c1ccc(cc1)S(=O)(=O)N
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.024g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
279.325g/mol
Monoisotopic Mass:
279.024g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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