Chemical ID: 5078360

C=CCN(CC=C)S(=O)(=O)c1cccc(c1)C(=O)O
Chemical ID:
5078360
Name [?]:
3-(diallylsulfamoyl)benzoic acid
SMILES [?]:
C=CCN(CC=C)S(=O)(=O)c1cccc(c1)C(=O)O
InChi [?]:
InChI=1/C13H15NO4S/c1-3-8-14(9-4-2)19(17,18)12-7-5-6-11(10-12)13(15)16/h3-7,10H,1-2,8-9H2,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,7,2,6,13,14,12,3,5,16,15,11,17,4,18,19,9,10,8/E:(1,2)(3,4)(8,9)(15,16)(17,18)/CRV:19.6/rA:19nCCCNCCCSOOCCCCCCCOO/rB:d1;s2;s3;s4;s5;d6;s4;d8;d8;s8;s11;d12;s13;d14;d11s15;s15;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H15NO4S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.63381
Area:457.947
Solvation:-2.81485
Coulombic:-38.1381
Bond Count [?]
All:19
Single:11
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:281.329
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.96
LogP (Chemaxon):2.17

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