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1019331-10-2 | Benzamide, 2-chloro-N-[[2'-[(cyanoamino)sulfonyl][1,1'-biphenyl]-4-yl]methyl]-N-[(4-methylphenyl)methyl]-
CAS No: 1019331-10-2 Catalog No: AG00060F MDL No:MFCD23136018
Product Description
Catalog Number:
AG00060F
Chemical Name:
Benzamide, 2-chloro-N-[[2'-[(cyanoamino)sulfonyl][1,1'-biphenyl]-4-yl]methyl]-N-[(4-methylphenyl)methyl]-
CAS Number:
1019331-10-2
Molecular Formula:
C29H24ClN3O3S
Molecular Weight:
530.0372
MDL Number:
MFCD23136018
IUPAC Name:
2-chloro-N-[[4-[2-(cyanosulfamoyl)phenyl]phenyl]methyl]-N-[(4-methylphenyl)methyl]benzamide
InChI:
InChI=1S/C29H24ClN3O3S/c1-21-10-12-22(13-11-21)18-33(29(34)26-7-2-4-8-27(26)30)19-23-14-16-24(17-15-23)25-6-3-5-9-28(25)37(35,36)32-20-31/h2-17,32H,18-19H2,1H3
InChI Key:
ITDBPOSLOROLMT-UHFFFAOYSA-N
SMILES:
N#CNS(=O)(=O)c1ccccc1c1ccc(cc1)CN(C(=O)c1ccccc1Cl)Cc1ccc(cc1)C
Properties
Complexity:
897
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
529.123g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
530.039g/mol
Monoisotopic Mass:
529.123g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
98.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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