Chemical ID: 6479277

CCC1Nc2cc(c(cc2S(=O)(=O)N1)S(=O)(=O)N)Cl
Chemical ID:
6479277
Name [?]:
3-chloro-9-ethyl-7,7-dioxo-7$l^{6}-thia-8,10-diazabicyclo[4.4.0]deca-2,4,11-triene-4-sulfonamide
SMILES [?]:
CCC1Nc2cc(c(cc2S(=O)(=O)N1)S(=O)(=O)N)Cl
InChi [?]:
InChI=1/C9H12ClN3O4S2/c1-2-9-12-6-3-5(10)7(18(11,14)15)4-8(6)19(16,17)13-9/h3-4,9,12-13H,2H2,1H3,(H2,11,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,9,7,5,8,10,3,19,18,4,14,16,17,12,13,15,11/E:(14,15)(16,17)/CRV:18.6,19.6/rA:19cCCCNCCCCCCSOONSOONCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;d11;d11;s3s11;s8;d15;d15;s15;s7;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H12ClN3O4S2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:7.68993
Area:454.486
Solvation:-3.67222
Coulombic:-37.0951
Bond Count [?]
All:20
Single:13
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:325.794
H-Bond Donors:4
H-Bond Acceptors:7
XLogP:0.34
LogP (Chemaxon):1.07

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