Chemical ID: 7020311

CN(C)c1c(nc(o1)c2cccc3c2cccc3)S(=O)(=O)c4ccc(cc4)Cl
Chemical ID:
7020311
Name [?]:
4-(4-chlorophenyl)sulfonyl-N,N-dimethyl-2-(1-naphthyl)oxazol-5-amine
SMILES [?]:
CN(C)c1c(nc(o1)c2cccc3c2cccc3)S(=O)(=O)c4ccc(cc4)Cl
InChi [?]:
InChI=1/C21H17ClN2O3S/c1-24(2)21-20(28(25,26)16-12-10-15(22)11-13-16)23-19(27-21)18-9-5-7-14-6-3-4-8-17(14)18/h3-13H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,17,16,11,18,12,15,10,24,26,23,27,13,25,22,14,9,7,5,4,28,6,2,20,21,8,19/E:(1,2)(10,11)(12,13)(25,26)/CRV:28.6/rA:28nCNCCCNCOCCCCCCCCCCSOOCCCCCCCl/rB:s1;s2;s2;d4;s5;d6;s4s7;s7;s9;d10;s11;d12;d9s13;s14;d15;s16;s13d17;s5;d19;d19;s19;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H17ClN2O3S
All Atoms:45
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.6224
Area:593.219
Solvation:-2.20803
Coulombic:-31.9477
Bond Count [?]
All:31
Single:19
Double:12
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:412.89
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.69
LogP (Chemaxon):5.48

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