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Chemical ID: 7519172
Chemical ID:
7519172
Name [?]:
4-(4-fluorophenyl)sulfonyl-N-methyl-2-phenyl-oxazol-5-amine
SMILES [?]:
CNc1c(nc(o1)c2ccccc2)S(=O)(=O)c3ccc(cc3)F
InChi [?]:
InChI=1/C16H13FN2O3S/c1-18-15-16(19-14(22-15)11-5-3-2-4-6-11)23(20,21)13-9-7-12(17)8-10-13/h2-10,18H,1H3
InChi Info:
AuxInfo=1/0/N:1,11,10,12,9,13,19,21,18,22,8,20,17,6,3,4,23,2,5,15,16,7,14/E:(3,4)(5,6)(7,8)(9,10)(20,21)/CRV:23.6/rA:23nCNCCNCOCCCCCCSOOCCCCCCF/rB:s1;s2;d3;s4;d5;s3s6;s6;s8;d9;s10;d11;d8s12;s4;d14;d14;s14;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H13FN2O3S |
All Atoms: | 36 |
Heavy Atoms: | 23 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.79539 |
Area: | 509.528 |
Solvation: | -2.94282 |
Coulombic: | -38.3873 |
Bond Count [?]
All: | 25 |
Single: | 15 |
Double: | 10 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.05 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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