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Chemical ID: 7292032
Chemical ID:
7292032
Name [?]:
N-[(4-fluorophenyl)methyl]-3-[(4-fluorophenyl)sulfamoyl]benzamide
SMILES [?]:
c1cc(cc(c1)S(=O)(=O)Nc2ccc(cc2)F)C(=O)NCc3ccc(cc3)F
InChi [?]:
InChI=1/C20H16F2N2O3S/c21-16-6-4-14(5-7-16)13-23-20(25)15-2-1-3-19(12-15)28(26,27)24-18-10-8-17(22)9-11-18/h1-12,24H,13H2,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,23,27,24,26,13,15,12,16,4,21,22,3,25,14,11,5,18,28,17,20,10,19,8,9,7/E:(4,5)(6,7)(8,9)(10,11)(26,27)/CRV:28.6/rA:28nCCCCCCSOONCCCCCCFCONCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;d7;d7;s7;s10;s11;d12;s13;d14;d11s15;s14;s3;d18;s18;s20;s21;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H16F2N2O3S |
All Atoms: | 44 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.73829 |
Area: | 585.824 |
Solvation: | -4.90731 |
Coulombic: | -42.2969 |
Bond Count [?]
All: | 30 |
Single: | 18 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 402.416 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.15 |
LogP (Chemaxon): | 3.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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