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Chemical ID: 7527753
Chemical ID:
7527753
Name [?]:
4-chloro-N-(3,4-difluorophenyl)-3-(p-tolylsulfamoyl)benzamide
SMILES [?]:
Cc1ccc(cc1)NS(=O)(=O)c2cc(ccc2Cl)C(=O)Nc3ccc(c(c3)F)F
InChi [?]:
InChI=1/C20H15ClF2N2O3S/c1-12-2-5-14(6-3-12)25-29(27,28)19-10-13(4-8-16(19)21)20(26)24-15-7-9-17(22)18(23)11-15/h2-11,25H,1H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,3,7,15,4,6,23,16,24,13,27,2,14,5,22,17,25,26,12,19,18,29,28,21,8,20,10,11,9/E:(2,3)(5,6)(27,28)/CRV:29.6/rA:29nCCCCCCCNSOOCCCCCCClCONCCCCCCFF/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s17;s14;d19;s19;s21;s22;d23;s24;d25;d22s26;s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H15ClF2N2O3S |
All Atoms: | 44 |
Heavy Atoms: | 29 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.0481 |
Area: | 602.176 |
Solvation: | -5.00631 |
Coulombic: | -40.8368 |
Bond Count [?]
All: | 31 |
Single: | 19 |
Double: | 12 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.07 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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