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Chemical ID: 5155874
Chemical ID:
5155874
Name [?]:
2-(4-aminophenyl)sulfonyl-1-morpholino-ethanone
SMILES [?]:
c1cc(ccc1N)S(=O)(=O)CC(=O)N2CCOCC2
InChi [?]:
InChI=1/C12H16N2O4S/c13-10-1-3-11(4-2-10)19(16,17)9-12(15)14-5-7-18-8-6-14/h1-4H,5-9,13H2
InChi Info:
AuxInfo=1/0/N:1,5,2,4,15,19,16,18,11,6,3,12,7,14,13,9,10,17,8/E:(1,2)(3,4)(5,6)(7,8)(16,17)/CRV:19.6/rA:19nCCCCCCNSOOCCONCCOCC/rB:s1;d2;s3;d4;d1s5;s6;s3;d8;d8;s8;s11;d12;s12;s14;s15;s16;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H16N2O4S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.28897 |
Area: | 459.227 |
Solvation: | -6.19171 |
Coulombic: | -40.836 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 284.333 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | -1.13 |
LogP (Chemaxon): | -0.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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