Chemical ID: 6544849

c1cc(ccc1CCN2C(=O)CCC2=O)S(=O)(=O)N
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

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Descriptor Annotations

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