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156972-85-9 | [1,1'-Biphenyl]-2-sulfonamide, 4'-formyl-N-[(propylamino)carbonyl]-
CAS No: 156972-85-9 Catalog No: AG001P4P MDL No:
Product Description
Catalog Number:
AG001P4P
Chemical Name:
[1,1'-Biphenyl]-2-sulfonamide, 4'-formyl-N-[(propylamino)carbonyl]-
CAS Number:
156972-85-9
Molecular Formula:
C17H18N2O4S
Molecular Weight:
346.4008
IUPAC Name:
1-[2-(4-formylphenyl)phenyl]sulfonyl-3-propylurea
InChI:
InChI=1S/C17H18N2O4S/c1-2-11-18-17(21)19-24(22,23)16-6-4-3-5-15(16)14-9-7-13(12-20)8-10-14/h3-10,12H,2,11H2,1H3,(H2,18,19,21)
InChI Key:
JVLRICGXMFJIRQ-UHFFFAOYSA-N
SMILES:
CCCNC(=O)NS(=O)(=O)c1ccccc1c1ccc(cc1)C=O
Properties
Complexity:
521
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.099g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
346.401g/mol
Monoisotopic Mass:
346.099g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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