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Chemical ID: 6420065
Chemical ID:
6420065
Name [?]:
3-amino-4-(2-amino-4-sulfamoyl-phenyl)disulfanyl-benzenesulfonamide
SMILES [?]:
c1cc(c(cc1S(=O)(=O)N)N)SSc2ccc(cc2N)S(=O)(=O)N
InChi [?]:
InChI=1/C12H14N4O4S4/c13-9-5-7(23(15,17)18)1-3-11(9)21-22-12-4-2-8(6-10(12)14)24(16,19)20/h1-6H,13-14H2,(H2,15,17,18)(H2,16,19,20)
InChi Info:
AuxInfo=1/1/N:1,16,2,15,5,18,6,17,4,19,3,14,11,20,10,24,8,9,22,23,12,13,7,21/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18,19,20)(21,22)(23,24)/gE:(1,2)/CRV:23.6,24.6/rA:24nCCCCCCSOONNSSCCCCCCNSOON/rB:s1;d2;s3;d4;d1s5;s6;d7;d7;s7;s4;s3;s12;s13;s14;d15;s16;d17;d14s18;s19;s17;d21;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H14N4O4S4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3233 |
Area: | 569.179 |
Solvation: | -3.90615 |
Coulombic: | -64.5212 |
Bond Count [?]
All: | 25 |
Single: | 15 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 406.528 |
H-Bond Donors: | 8 |
H-Bond Acceptors: | 8 |
XLogP: | -0.67 |
LogP (Chemaxon): | 0.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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