Chemical ID: 4753902

Cc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)c3cn4c(n3)SCC4
Chemical ID:
4753902
Name [?]:
4-methyl-N-[4-(4-thia-1,6-diazabicyclo[3.3.0]octa-5,7-dien-7-yl)phenyl]-benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)c3cn4c(n3)SCC4
InChi [?]:
InChI=1/C18H17N3O2S2/c1-13-2-8-16(9-3-13)25(22,23)20-15-6-4-14(5-7-15)17-12-21-10-11-24-18(21)19-17/h2-9,12,20H,10-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,14,16,13,17,4,6,25,24,19,2,15,12,5,18,21,22,11,20,9,10,23,8/E:(2,3)(4,5)(6,7)(8,9)(22,23)/CRV:25.6/rA:25nCCCCCCCSOONCCCCCCCCNCNSCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s15;d18;s19;s20;s18d21;s21;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17N3O2S2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.0445
Area:559.372
Solvation:-2.93978
Coulombic:-25.5757
Bond Count [?]
All:28
Single:18
Double:10
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:371.479
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.14
LogP (Chemaxon):4.25

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Descriptor Annotations

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