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Chemical ID: 5399156
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
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Experimental Annotations
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Descriptor Annotations
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