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90069-89-9 | Benzenesulfonamide, N,N'-3,4-thiophenediylbis[4-methyl-
CAS No: 90069-89-9 Catalog No: AG00H8GH MDL No:
Product Description
Catalog Number:
AG00H8GH
Chemical Name:
Benzenesulfonamide, N,N'-3,4-thiophenediylbis[4-methyl-
CAS Number:
90069-89-9
Molecular Formula:
C18H18N2O4S3
Molecular Weight:
422.5415
IUPAC Name:
4-methyl-N-[4-[(4-methylphenyl)sulfonylamino]thiophen-3-yl]benzenesulfonamide
InChI:
InChI=1S/C18H18N2O4S3/c1-13-3-7-15(8-4-13)26(21,22)19-17-11-25-12-18(17)20-27(23,24)16-9-5-14(2)6-10-16/h3-12,19-20H,1-2H3
InChI Key:
DSQXJMMXZVGWCI-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)Nc1cscc1NS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
623
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.043g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
422.532g/mol
Monoisotopic Mass:
422.043g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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