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Chemical ID: 4404900
Chemical ID:
4404900
Name [?]:
N,N-dimethyl-4-morpholinocarbonyl-benzenesulfonamide
SMILES [?]:
CN(C)S(=O)(=O)c1ccc(cc1)C(=O)N2CCOCC2
InChi [?]:
InChI=1/C13H18N2O4S/c1-14(2)20(17,18)12-5-3-11(4-6-12)13(16)15-7-9-19-10-8-15/h3-6H,7-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,9,11,8,12,16,20,17,19,10,7,13,2,15,14,5,6,18,4/E:(1,2)(3,4)(5,6)(7,8)(9,10)(17,18)/CRV:20.6/rA:20nCNCSOOCCCCCCCONCCOCC/rB:s1;s2;s2;d4;d4;s4;s7;d8;s9;d10;d7s11;s10;d13;s13;s15;s16;s17;s18;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H18N2O4S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.36679 |
Area: | 469.822 |
Solvation: | -4.37876 |
Coulombic: | -31.6528 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 298.359 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 0.26 |
LogP (Chemaxon): | -0.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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