Chemical ID: 3967503

Cc1ccccc1N2C(Nc3cc(c(cc3C2=O)S(=O)(=O)N)Cl)C
Chemical ID:
3967503
Name [?]:
7-chloro-2-methyl-3-(o-tolyl)-4-oxo-1,2-dihydroquinazoline-6-sulfonamide
SMILES [?]:
Cc1ccccc1N2C(Nc3cc(c(cc3C2=O)S(=O)(=O)N)Cl)C
InChi [?]:
InChI=1/C16H16ClN3O3S/c1-9-5-3-4-6-14(9)20-10(2)19-13-8-12(17)15(24(18,22)23)7-11(13)16(20)21/h3-8,10,19H,1-2H3,(H2,18,22,23)
InChi Info:
AuxInfo=1/1/N:1,24,4,5,3,6,15,12,2,9,16,13,11,7,14,17,23,22,10,8,18,20,21,19/E:(22,23)/CRV:24.6/rA:24cCCCCCCCNCNCCCCCCCOSOONClC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s8s16;d17;s14;d19;d19;s19;s13;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16ClN3O3S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:9.37571
Area:517.346
Solvation:-3.55794
Coulombic:-43.7167
Bond Count [?]
All:26
Single:17
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:365.835
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:2.48
LogP (Chemaxon):2.92

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