Chemical ID: 4383466

Cc1ccc(cc1S(=O)(=O)Nc2ccc(cc2)OC)c3c4ccccc4c(=O)[nH]n3
Chemical ID:
4383466
Name [?]:
N-(4-methoxyphenyl)-2-methyl-5-(4-oxo-3H-phthalazin-1-yl)-benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1S(=O)(=O)Nc2ccc(cc2)OC)c3c4ccccc4c(=O)[nH]n3
InChi [?]:
InChI=1/C22H19N3O4S/c1-14-7-8-15(21-18-5-3-4-6-19(18)22(26)24-23-21)13-20(14)30(27,28)25-16-9-11-17(29-2)12-10-16/h3-13,25H,1-2H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,19,23,24,22,25,3,4,13,17,14,16,6,2,5,12,15,21,26,7,20,27,30,29,11,28,9,10,18,8/E:(9,10)(11,12)(27,28)/CRV:30.6/rA:30nCCCCCCCSOONCCCCCCOCCCCCCCCCONN/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s15;s18;s5;s20;s21;d22;s23;d24;d21s25;s26;d27;s27;d20s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H19N3O4S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:10.7389
Area:600.312
Solvation:-4.26894
Coulombic:-41.2332
Bond Count [?]
All:33
Single:20
Double:13
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:421.47
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.66
LogP (Chemaxon):3.72

Name Annotations

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Descriptor Annotations

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