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380607-77-2 | N,N'-(2,2'-(1,4-phenylene)bis(ethane-2,1-diyl))dipropane-2-sulfonaMide
CAS No: 380607-77-2 Catalog No: AG00C6IR MDL No:MFCD25371551
Product Description
Catalog Number:
AG00C6IR
Chemical Name:
N,N'-(2,2'-(1,4-phenylene)bis(ethane-2,1-diyl))dipropane-2-sulfonaMide
CAS Number:
380607-77-2
Molecular Formula:
C16H28N2O4S2
Molecular Weight:
376.5345
MDL Number:
MFCD25371551
IUPAC Name:
N-[2-[4-[2-(propan-2-ylsulfonylamino)ethyl]phenyl]ethyl]propane-2-sulfonamide
InChI:
InChI=1S/C16H28N2O4S2/c1-13(2)23(19,20)17-11-9-15-5-7-16(8-6-15)10-12-18-24(21,22)14(3)4/h5-8,13-14,17-18H,9-12H2,1-4H3
InChI Key:
FHLGMMYEKXPVSC-UHFFFAOYSA-N
SMILES:
CC(S(=O)(=O)NCCc1ccc(cc1)CCNS(=O)(=O)C(C)C)C
Properties
Complexity:
500
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.149g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
376.53g/mol
Monoisotopic Mass:
376.149g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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