Chemical ID: 6420065

c1cc(c(cc1S(=O)(=O)N)N)SSc2ccc(cc2N)S(=O)(=O)N
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

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Descriptor Annotations

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