Chemical ID: 4349040

CNc1c(nc(o1)c2ccccc2)S(=O)(=O)c3ccccc3
Chemical ID:
4349040
Name [?]:
N-methyl-2-phenyl-4-phenylsulfonyl-oxazol-5-amine
SMILES [?]:
CNc1c(nc(o1)c2ccccc2)S(=O)(=O)c3ccccc3
InChi [?]:
InChI=1/C16H14N2O3S/c1-17-15-16(22(19,20)13-10-6-3-7-11-13)18-14(21-15)12-8-4-2-5-9-12/h2-11,17H,1H3
InChi Info:
AuxInfo=1/0/N:1,11,20,10,12,19,21,9,13,18,22,8,17,6,3,4,2,5,15,16,7,14/E:(4,5)(6,7)(8,9)(10,11)(19,20)/CRV:22.6/rA:22nCNCCNCOCCCCCCSOOCCCCCC/rB:s1;s2;d3;s4;d5;s3s6;s6;s8;d9;s10;d11;d8s12;s4;d14;d14;s14;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14N2O3S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.618
Area:502.675
Solvation:-1.94885
Coulombic:-36.0935
Bond Count [?]
All:24
Single:14
Double:10
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:314.36
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.88
LogP (Chemaxon):3.91

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Descriptor Annotations

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