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1000930-60-8 | N-{[4-(hydrazinecarbonyl)phenyl]methyl}-4-methoxy-N-(pyridin-3-ylmethyl)benzene-1-sulfonamide
CAS No: 1000930-60-8 Catalog No: AG019KKM MDL No:MFCD09802046
Product Description
Catalog Number:
AG019KKM
Chemical Name:
N-{[4-(hydrazinecarbonyl)phenyl]methyl}-4-methoxy-N-(pyridin-3-ylmethyl)benzene-1-sulfonamide
CAS Number:
1000930-60-8
Molecular Formula:
C21H22N4O4S
Molecular Weight:
426.4888
MDL Number:
MFCD09802046
IUPAC Name:
N-[[4-(hydrazinecarbonyl)phenyl]methyl]-4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
InChI:
InChI=1S/C21H22N4O4S/c1-29-19-8-10-20(11-9-19)30(27,28)25(15-17-3-2-12-23-13-17)14-16-4-6-18(7-5-16)21(26)24-22/h2-13H,14-15,22H2,1H3,(H,24,26)
InChI Key:
XHNYJFUBFPLAEE-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)Cc1ccc(cc1)C(=O)NN
Properties
Complexity:
638
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
426.136g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
426.491g/mol
Monoisotopic Mass:
426.136g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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