Chemical ID: 3966946

c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)NCN2
Chemical ID:
3966946
Name [?]:
9-chloro-5,5-dioxo-5$l^{6}-thia-2,4-diazabicyclo[4.4.0]deca-7,9,11-triene-8-sulfonamide
SMILES [?]:
c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)NCN2
InChi [?]:
InChI=1/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)
InChi Info:
AuxInfo=1/1/N:1,4,16,6,2,5,3,7,11,17,15,9,10,13,14,8,12/E:(12,13)(14,15)/CRV:16.6,17.6/rA:17nCCCCCCClSOONSOONCN/rB:s1;d2;s3;d4;d1s5;s6;s5;d8;d8;s8;s3;d12;d12;s12;s15;s2s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H8ClN3O4S2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:6.43269
Area:409.893
Solvation:-3.81463
Coulombic:-36.3673
Bond Count [?]
All:18
Single:11
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:297.741
H-Bond Donors:4
H-Bond Acceptors:7
XLogP:-0.47
LogP (Chemaxon):0.49

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