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Chemical ID: 6544849
Chemical ID:
6544849
Name [?]:
4-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]benzenesulfonamide
SMILES [?]:
c1cc(ccc1CCN2C(=O)CCC2=O)S(=O)(=O)N
InChi [?]:
InChI=1/C12H14N2O4S/c13-19(17,18)10-3-1-9(2-4-10)7-8-14-11(15)5-6-12(14)16/h1-4H,5-8H2,(H2,13,17,18)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,12,13,7,8,6,3,10,14,19,9,11,15,17,18,16/E:(1,2)(3,4)(5,6)(11,12)(15,16)(17,18)/CRV:19.6/rA:19nCCCCCCCCNCOCCCOSOON/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;d10;s10;s12;s9s13;d14;s3;d16;d16;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H14N2O4S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.4279 |
Area: | 465.702 |
Solvation: | -4.21466 |
Coulombic: | -38.63 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 282.317 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | -0.5 |
LogP (Chemaxon): | -0.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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