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Chemical ID: 7327261
Chemical ID:
7327261
Name [?]:
4-(4-fluorophenyl)sulfonyl-N-methyl-2-(o-tolyl)oxazol-5-amine
SMILES [?]:
Cc1ccccc1c2nc(c(o2)NC)S(=O)(=O)c3ccc(cc3)F
InChi [?]:
InChI=1/C17H15FN2O3S/c1-11-5-3-4-6-14(11)15-20-17(16(19-2)23-15)24(21,22)13-9-7-12(18)8-10-13/h3-10,19H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,4,5,3,6,20,22,19,23,2,21,18,7,8,11,10,24,13,9,16,17,12,15/E:(7,8)(9,10)(21,22)/CRV:24.6/rA:24nCCCCCCCCNCCONCSOOCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s9;d10;s8s11;s11;s13;s10;d15;d15;s15;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H15FN2O3S |
All Atoms: | 39 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0975 |
Area: | 524.188 |
Solvation: | -3.0072 |
Coulombic: | -38.1721 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 346.377 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.48 |
LogP (Chemaxon): | 4.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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