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Chemical ID: 6579767
Chemical ID:
6579767
Name [?]:
3-(3,4-difluorophenyl)sulfonylamino-N-(4-ethoxyphenyl)-benzamide
SMILES [?]:
CCOc1ccc(cc1)NC(=O)c2cccc(c2)NS(=O)(=O)c3ccc(c(c3)F)F
InChi [?]:
InChI=1/C21H18F2N2O4S/c1-2-29-17-8-6-15(7-9-17)24-21(26)14-4-3-5-16(12-14)25-30(27,28)18-10-11-19(22)20(23)13-18/h3-13,25H,2H2,1H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,2,15,14,16,6,8,5,9,24,25,18,28,13,7,17,4,23,26,27,11,30,29,10,19,12,21,22,3,20/E:(6,7)(8,9)(27,28)/CRV:30.6/rA:30nCCOCCCCCCNCOCCCCCCNSOOCCCCCCFF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;d14;s15;d16;d13s17;s17;s19;d20;d20;s20;s23;d24;s25;d26;d23s27;s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H18F2N2O4S |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.45611 |
Area: | 627.637 |
Solvation: | -6.23483 |
Coulombic: | -46.9604 |
Bond Count [?]
All: | 32 |
Single: | 20 |
Double: | 12 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 432.441 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.35 |
LogP (Chemaxon): | 4.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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