Chemical ID: 3967453

CN1C(Nc2cc(c(cc2S1(=O)=O)S(=O)(=O)N)Cl)CCl
Chemical ID:
3967453
Name [?]:
3-chloro-9-(chloromethyl)-8-methyl-7,7-dioxo-7$l^{6}-thia-8,10-diazabicyclo[4.4.0]deca-2,4,11-triene-4-sulfonamide
SMILES [?]:
CN1C(Nc2cc(c(cc2S1(=O)=O)S(=O)(=O)N)Cl)CCl
InChi [?]:
InChI=1/C9H11Cl2N3O4S2/c1-14-9(4-10)13-6-2-5(11)7(19(12,15)16)3-8(6)20(14,17)18/h2-3,9,13H,4H2,1H3,(H2,12,15,16)
InChi Info:
AuxInfo=1/1/N:1,6,9,19,7,5,8,10,3,20,18,17,4,2,15,16,12,13,14,11/E:(15,16)(17,18)/CRV:19.6,20.6/rA:20cCNCNCCCCCCSOOSOONClCCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s2s10;d11;d11;s8;d14;d14;s14;s7;s3;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H11Cl2N3O4S2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:2
ZAP Information [?]
Total:8.08577
Area:483.107
Solvation:-3.99191
Coulombic:-32.7204
Bond Count [?]
All:21
Single:14
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:360.239
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:0.57
LogP (Chemaxon):1.41

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