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442155-91-1 | Benzenesulfonamide, 4-methyl-N-[2-(phenylethynyl)phenyl]-
CAS No: 442155-91-1 Catalog No: AG00729H MDL No:
Product Description
Catalog Number:
AG00729H
Chemical Name:
Benzenesulfonamide, 4-methyl-N-[2-(phenylethynyl)phenyl]-
CAS Number:
442155-91-1
Molecular Formula:
C21H17NO2S
Molecular Weight:
347.4302
IUPAC Name:
4-methyl-N-[2-(2-phenylethynyl)phenyl]benzenesulfonamide
InChI:
InChI=1S/C21H17NO2S/c1-17-11-15-20(16-12-17)25(23,24)22-21-10-6-5-9-19(21)14-13-18-7-3-2-4-8-18/h2-12,15-16,22H,1H3
InChI Key:
JPWKXBIUMDHTPM-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1C#Cc1ccccc1
Properties
Complexity:
580
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.098g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
347.432g/mol
Monoisotopic Mass:
347.098g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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