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Chemical ID: 4425241
Chemical ID:
4425241
Name [?]:
N-(3-fluorophenyl)-2-[methylsulfonyl-(4-phenoxyphenyl)-amino]-acetamide
SMILES [?]:
CS(=O)(=O)N(CC(=O)Nc1cccc(c1)F)c2ccc(cc2)Oc3ccccc3
InChi [?]:
InChI=1/C21H19FN2O4S/c1-29(26,27)24(15-21(25)23-17-7-5-6-16(22)14-17)18-10-12-20(13-11-18)28-19-8-3-2-4-9-19/h2-14H,15H2,1H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,27,26,28,12,13,11,25,29,18,22,19,21,15,6,14,10,17,24,20,7,16,9,5,8,3,4,23,2/E:(3,4)(8,9)(10,11)(12,13)(26,27)/CRV:29.6/rA:29cCSOONCCONCCCCCCFCCCCCCOCCCCCC/rB:s1;d2;d2;s2;s5;s6;d7;s7;s9;s10;d11;s12;d13;d10s14;s14;s5;s17;d18;s19;d20;d17s21;s20;s23;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H19FN2O4S |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.38516 |
Area: | 603.462 |
Solvation: | -6.70138 |
Coulombic: | -36.3295 |
Bond Count [?]
All: | 31 |
Single: | 19 |
Double: | 12 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 414.451 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.2 |
LogP (Chemaxon): | 3.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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