Chemical ID: 5399156

c1ccc(cc1)S(=O)(=O)CC(=O)Nc2cccc(c2N3CCOCC3)Cl
Chemical ID:
5399156
Name [?]:
N-(3-chloro-2-morpholino-phenyl)-2-phenylsulfonyl-acetamide
SMILES [?]:
c1ccc(cc1)S(=O)(=O)CC(=O)Nc2cccc(c2N3CCOCC3)Cl
InChi [?]:
InChI=1/C18H19ClN2O4S/c19-15-7-4-8-16(18(15)21-9-11-25-12-10-21)20-17(22)13-26(23,24)14-5-2-1-3-6-14/h1-8H,9-13H2,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,16,3,5,17,15,21,25,22,24,10,4,18,14,11,19,26,13,20,12,8,9,23,7/E:(2,3)(5,6)(9,10)(11,12)(23,24)/CRV:26.6/rA:26nCCCCCCSOOCCONCCCCCCNCCOCCCl/rB:s1;d2;s3;d4;d1s5;s4;d7;d7;s7;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s20;s21;s22;s23;s20s24;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19ClN2O4S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:8.21071
Area:569.62
Solvation:-6.02977
Coulombic:-38.3722
Bond Count [?]
All:28
Single:19
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:394.873
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.09
LogP (Chemaxon):2.71

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue