Chemical ID: 5078392

COCCCNS(=O)(=O)c1cccc(c1)C(=O)O
Chemical ID:
5078392
Name [?]:
3-(3-methoxypropylsulfamoyl)benzoic acid
SMILES [?]:
COCCCNS(=O)(=O)c1cccc(c1)C(=O)O
InChi [?]:
InChI=1/C11H15NO5S/c1-17-7-3-6-12-18(15,16)10-5-2-4-9(8-10)11(13)14/h2,4-5,8,12H,3,6-7H2,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,12,4,13,11,5,3,15,14,10,16,6,17,18,8,9,2,7/E:(13,14)(15,16)/CRV:18.6/rA:18nCOCCCNSOOCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;d7;d7;s7;s10;d11;s12;d13;d10s14;s14;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H15NO5S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.28792
Area:471.332
Solvation:-4.49537
Coulombic:-46.4697
Bond Count [?]
All:18
Single:12
Double:6
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:273.307
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:0.65
LogP (Chemaxon):0.33

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