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Chemical ID: 4164795
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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