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Home > Sulfanilamide > 439097-41-3
439097-41-3 | N-[4-(hex-1-yn-1-yl)phenyl]-1-phenylmethanesulfonamide
CAS No: 439097-41-3 Catalog No: AG00IP6B MDL No:MFCD03012885
Product Description
Catalog Number:
AG00IP6B
Chemical Name:
N-[4-(hex-1-yn-1-yl)phenyl]-1-phenylmethanesulfonamide
CAS Number:
439097-41-3
Molecular Formula:
C19H21NO2S
Molecular Weight:
327.4405
MDL Number:
MFCD03012885
IUPAC Name:
N-(4-hex-1-ynylphenyl)-1-phenylmethanesulfonamide
InChI:
InChI=1S/C19H21NO2S/c1-2-3-4-6-9-17-12-14-19(15-13-17)20-23(21,22)16-18-10-7-5-8-11-18/h5,7-8,10-15,20H,2-4,16H2,1H3
InChI Key:
LKEKKRCXOFIQDL-UHFFFAOYSA-N
SMILES:
CCCCC#Cc1ccc(cc1)NS(=O)(=O)Cc1ccccc1
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.129g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
327.442g/mol
Monoisotopic Mass:
327.129g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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