Chemical ID: 4164795

c1ccc(cc1)S(=O)(=O)Nc2ccc3c4c2cccc4S(=O)(=O)N3
Chemical ID:
4164795
Name [?]:
None
SMILES [?]:
c1ccc(cc1)S(=O)(=O)Nc2ccc3c4c2cccc4S(=O)(=O)N3
InChi [?]:
InChI=1/C16H12N2O4S2/c19-23(20,11-5-2-1-3-6-11)17-13-9-10-14-16-12(13)7-4-8-15(16)24(21,22)18-14/h1-10,17-18H
InChi Info:
AuxInfo=1/0/N:1,2,6,18,3,5,17,19,12,13,4,16,11,14,20,15,10,24,8,9,22,23,7,21/E:(2,3)(5,6)(19,20)(21,22)/CRV:23.6,24.6/rA:24nCCCCCCSOONCCCCCCCCCCSOON/rB:s1;d2;s3;d4;d1s5;s4;d7;d7;s7;s10;s11;d12;s13;d14;d11s15;s16;d17;s18;s15d19;s20;d21;d21;s14s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12N2O4S2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.33614
Area:498.433
Solvation:-3.1247
Coulombic:-24.417
Bond Count [?]
All:27
Single:15
Double:12
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:360.41
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.65
LogP (Chemaxon):2.12

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