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Chemical ID: 4399932
Chemical ID:
4399932
Name [?]:
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,4-dimethoxy-benzenesulfonamide
SMILES [?]:
COc1ccc(cc1OC)S(=O)(=O)Nc2ccc(cc2)S(=O)(=O)Nc3ccc(cc3)F
InChi [?]:
InChI=1/C20H19FN2O6S2/c1-28-19-12-11-18(13-20(19)29-2)31(26,27)23-16-7-9-17(10-8-16)30(24,25)22-15-5-3-14(21)4-6-15/h3-13,22-23H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,27,29,26,30,16,20,17,19,5,4,7,28,25,15,18,6,3,8,31,24,14,22,23,12,13,2,9,21,11/E:(3,4)(5,6)(7,8)(9,10)(24,25)(26,27)/CRV:30.6,31.6/rA:31nCOCCCCCCOCSOONCCCCCCSOONCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;d11;s11;s14;s15;d16;s17;d18;d15s19;s18;d21;d21;s21;s24;s25;d26;s27;d28;d25s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19FN2O6S2 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.84756 |
Area: | 618.063 |
Solvation: | -7.60402 |
Coulombic: | -40.279 |
Bond Count [?]
All: | 33 |
Single: | 20 |
Double: | 13 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 466.505 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 3.13 |
LogP (Chemaxon): | 2.8 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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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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