Chemical ID: 7364260

Cc1cc(ccc1NC(=O)c2ccc(c(c2)S(=O)(=O)N(C)c3ccc(cc3)Cl)Cl)F
Chemical ID:
7364260
Name [?]:
4-chloro-3-[(4-chlorophenyl)-methyl-sulfamoyl]-N-(4-fluoro-2-methyl-phenyl)-benzamide
SMILES [?]:
Cc1cc(ccc1NC(=O)c2ccc(c(c2)S(=O)(=O)N(C)c3ccc(cc3)Cl)Cl)F
InChi [?]:
InChI=1/C21H17Cl2FN2O3S/c1-13-11-16(24)6-10-19(13)25-21(27)14-3-9-18(23)20(12-14)30(28,29)26(2)17-7-4-15(22)5-8-17/h3-12H,1-2H3,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,21,12,24,26,5,23,27,13,6,3,16,2,11,25,4,22,14,7,15,9,28,29,30,8,20,10,18,19,17/E:(4,5)(7,8)(28,29)/CRV:30.6/rA:30cCCCCCCCNCOCCCCCCSOONCCCCCCCClClF/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;d17;d17;s17;s20;s20;s22;d23;s24;d25;d22s26;s25;s14;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H17Cl2FN2O3S
All Atoms:47
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:11.6872
Area:639.254
Solvation:-4.29415
Coulombic:-33.0888
Bond Count [?]
All:32
Single:20
Double:12
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:467.341
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.88
LogP (Chemaxon):4.9

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Descriptor Annotations

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