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Home > Sulfanilamide > 866041-18-1
866041-18-1 | 4-[2-(1,1-dioxo-1lambda6-thiomorpholin-4-yl)ethyl]benzene-1-sulfonamide
CAS No: 866041-18-1 Catalog No: AG00IYHE MDL No:MFCD04125742
Product Description
Catalog Number:
AG00IYHE
Chemical Name:
4-[2-(1,1-dioxo-1lambda6-thiomorpholin-4-yl)ethyl]benzene-1-sulfonamide
CAS Number:
866041-18-1
Molecular Formula:
C12H18N2O4S2
Molecular Weight:
318.4123
MDL Number:
MFCD04125742
IUPAC Name:
4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]benzenesulfonamide
InChI:
InChI=1S/C12H18N2O4S2/c13-20(17,18)12-3-1-11(2-4-12)5-6-14-7-9-19(15,16)10-8-14/h1-4H,5-10H2,(H2,13,17,18)
InChI Key:
JPQDWGBHOAOVIE-UHFFFAOYSA-N
SMILES:
O=S1(=O)CCN(CC1)CCc1ccc(cc1)S(=O)(=O)N
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.071g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.406g/mol
Monoisotopic Mass:
318.071g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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