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1219633-17-6 | Trans-N-(3-(4-iodophenyl)tetrahydro-2H-pyran-4-yl)propane-2-sulfonamide
CAS No: 1219633-17-6 Catalog No: AG00HGJH MDL No:
Product Description
Catalog Number:
AG00HGJH
Chemical Name:
Trans-N-(3-(4-iodophenyl)tetrahydro-2H-pyran-4-yl)propane-2-sulfonamide
CAS Number:
1219633-17-6
Molecular Formula:
C14H20INO3S
Molecular Weight:
409.2830
IUPAC Name:
N-[(3S,4R)-3-(4-iodophenyl)oxan-4-yl]propane-2-sulfonamide
InChI:
InChI=1S/C14H20INO3S/c1-10(2)20(17,18)16-14-7-8-19-9-13(14)11-3-5-12(15)6-4-11/h3-6,10,13-14,16H,7-9H2,1-2H3/t13-,14+/m0/s1
InChI Key:
BWENXUCTZFSCNH-UONOGXRCSA-N
SMILES:
CC(S(=O)(=O)N[C@@H]1CCOC[C@H]1c1ccc(cc1)I)C
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
409.021g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
409.282g/mol
Monoisotopic Mass:
409.021g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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