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922506-15-8 | Ethanesulfonamide, N-[4-(5-cyano-1H-pyrrol-2-yl)phenyl]-
CAS No: 922506-15-8 Catalog No: AG0060QZ MDL No:
Product Description
Catalog Number:
AG0060QZ
Chemical Name:
Ethanesulfonamide, N-[4-(5-cyano-1H-pyrrol-2-yl)phenyl]-
CAS Number:
922506-15-8
Molecular Formula:
C13H13N3O2S
Molecular Weight:
275.3262
IUPAC Name:
N-[4-(5-cyano-1H-pyrrol-2-yl)phenyl]ethanesulfonamide
InChI:
InChI=1S/C13H13N3O2S/c1-2-19(17,18)16-11-5-3-10(4-6-11)13-8-7-12(9-14)15-13/h3-8,15-16H,2H2,1H3
InChI Key:
VLUDBBFJPLCBJQ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc([nH]1)c1ccc(cc1)NS(=O)(=O)CC
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.073g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
275.326g/mol
Monoisotopic Mass:
275.073g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
94.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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