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Chemical ID: 6564796
Chemical ID:
6564796
Name [?]:
4-fluoro-2-methyl-N-[2-(1-piperidylcarbonyl)phenyl]-benzenesulfonamide
SMILES [?]:
Cc1cc(ccc1S(=O)(=O)Nc2ccccc2C(=O)N3CCCCC3)F
InChi [?]:
InChI=1/C19H21FN2O3S/c1-14-13-15(20)9-10-18(14)26(24,25)21-17-8-4-3-7-16(17)19(23)22-11-5-2-6-12-22/h3-4,7-10,13,21H,2,5-6,11-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,23,15,14,22,24,16,13,5,6,21,25,3,2,4,17,12,7,18,26,11,20,19,9,10,8/E:(5,6)(11,12)(24,25)/CRV:26.6/rA:26nCCCCCCCSOONCCCCCCCONCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s17;d18;s18;s20;s21;s22;s23;s20s24;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H21FN2O3S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.84033 |
Area: | 522.548 |
Solvation: | -3.22337 |
Coulombic: | -34.0061 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 376.446 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.94 |
LogP (Chemaxon): | 3.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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