Chemical ID: 6504337

c1cc(ccc1CCNC(=O)C=CC(=O)O)S(=O)(=O)N
Chemical ID:
6504337
Name [?]:
4-oxo-4-[2-(4-sulfamoylphenyl)ethylamino]but-2-enoic acid
SMILES [?]:
c1cc(ccc1CCNC(=O)C=CC(=O)O)S(=O)(=O)N
InChi [?]:
InChI=1/C12H14N2O5S/c13-20(18,19)10-3-1-9(2-4-10)7-8-14-11(15)5-6-12(16)17/h1-6H,7-8H2,(H,14,15)(H,16,17)(H2,13,18,19)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,12,13,7,8,6,3,10,14,20,9,11,15,16,18,19,17/E:(1,2)(3,4)(16,17)(18,19)/CRV:20.6/rA:20nCCCCCCCCNCOCCCOOSOON/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;d10;s10;w12;s13;d14;s14;s3;d17;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H14N2O5S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.33083
Area:496.752
Solvation:-5.08796
Coulombic:-62.218
Bond Count [?]
All:20
Single:12
Double:8
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:298.316
H-Bond Donors:4
H-Bond Acceptors:7
XLogP:-0.3
LogP (Chemaxon):0.09

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