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Home > Pyridines > 678186-04-4
678186-04-4 | 4-Ethoxy-3-(3-pyridin-2-yl-ureido)-benzenesulfonyl chloride
CAS No: 678186-04-4 Catalog No: AG01EWWD MDL No:
Product Description
Catalog Number:
AG01EWWD
Chemical Name:
4-Ethoxy-3-(3-pyridin-2-yl-ureido)-benzenesulfonyl chloride
CAS Number:
678186-04-4
Molecular Formula:
C14H14ClN3O4S
Molecular Weight:
355.7967
IUPAC Name:
4-ethoxy-3-(pyridin-2-ylcarbamoylamino)benzenesulfonyl chloride
InChI:
InChI=1S/C14H14ClN3O4S/c1-2-22-12-7-6-10(23(15,20)21)9-11(12)17-14(19)18-13-5-3-4-8-16-13/h3-9H,2H2,1H3,(H2,16,17,18,19)
InChI Key:
JEMTXDGSQLMDRR-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1NC(=O)Nc1ccccn1)S(=O)(=O)Cl
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.039g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
355.793g/mol
Monoisotopic Mass:
355.039g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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