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Chemical ID: 7364260
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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