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383147-69-1 | N-{[2-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]methyl}-1-phenylmethanesulfonamide
CAS No: 383147-69-1 Catalog No: AG00IXP0 MDL No:MFCD03012021
Product Description
Catalog Number:
AG00IXP0
Chemical Name:
N-{[2-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]methyl}-1-phenylmethanesulfonamide
CAS Number:
383147-69-1
Molecular Formula:
C20H22N2O2S
Molecular Weight:
354.4659
MDL Number:
MFCD03012021
IUPAC Name:
N-[[2-(2,5-dimethylpyrrol-1-yl)phenyl]methyl]-1-phenylmethanesulfonamide
InChI:
InChI=1S/C20H22N2O2S/c1-16-12-13-17(2)22(16)20-11-7-6-10-19(20)14-21-25(23,24)15-18-8-4-3-5-9-18/h3-13,21H,14-15H2,1-2H3
InChI Key:
IKBCHUKSYPZCJN-UHFFFAOYSA-N
SMILES:
Cc1ccc(n1c1ccccc1CNS(=O)(=O)Cc1ccccc1)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:
354.14g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
354.468g/mol
Monoisotopic Mass:
354.14g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
59.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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