Chemical ID: 3999329

CCN(CC)S(=O)(=O)c1ccc(c(c1)C(=O)O)C
Chemical ID:
3999329
Name [?]:
5-(diethylsulfamoyl)-2-methyl-benzoic acid
SMILES [?]:
CCN(CC)S(=O)(=O)c1ccc(c(c1)C(=O)O)C
InChi [?]:
InChI=1/C12H17NO4S/c1-4-13(5-2)18(16,17)10-7-6-9(3)11(8-10)12(14)15/h6-8H,4-5H2,1-3H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,5,18,2,4,11,10,14,12,9,13,15,3,16,17,7,8,6/E:(1,2)(4,5)(14,15)(16,17)/CRV:18.6/rA:18nCCNCCSOOCCCCCCCOOC/rB:s1;s2;s3;s4;s3;d6;d6;s6;s9;d10;s11;d12;d9s13;s13;d15;s15;s12;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H17NO4S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.45797
Area:438.351
Solvation:-2.5008
Coulombic:-34.9083
Bond Count [?]
All:18
Single:12
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:271.334
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.01
LogP (Chemaxon):1.84

Name Annotations

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Descriptor Annotations

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