Chemical ID: 5786470

c1ccc(cc1)C(C(=O)O)NS(=O)(=O)c2ccc3ccccc3c2
Chemical ID:
5786470
Name [?]:
2-(2-naphthylsulfonylamino)-2-phenyl-acetic acid
SMILES [?]:
c1ccc(cc1)C(C(=O)O)NS(=O)(=O)c2ccc3ccccc3c2
InChi [?]:
InChI=1/C18H15NO4S/c20-18(21)17(14-7-2-1-3-8-14)19-24(22,23)16-11-10-13-6-4-5-9-15(13)12-16/h1-12,17,19H,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,20,21,19,3,5,22,17,16,24,18,4,23,15,7,8,11,9,10,13,14,12/E:(2,3)(7,8)(20,21)(22,23)/CRV:24.6/rA:24cCCCCCCCCOONSOOCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s7;s11;d12;d12;s12;s15;d16;s17;s18;d19;s20;d21;d18s22;d15s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15NO4S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:9.46362
Area:522.947
Solvation:-3.61005
Coulombic:-41.8165
Bond Count [?]
All:26
Single:15
Double:11
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:341.382
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.09
LogP (Chemaxon):3.44

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue