Chemical ID: 3998264

COCCN(CCOC)S(=O)(=O)c1cccc(c1)C(=O)O
Chemical ID:
3998264
Name [?]:
3-[bis(2-methoxyethyl)sulfamoyl]benzoic acid
SMILES [?]:
COCCN(CCOC)S(=O)(=O)c1cccc(c1)C(=O)O
InChi [?]:
InChI=1/C13H19NO6S/c1-19-8-6-14(7-9-20-2)21(17,18)12-5-3-4-11(10-12)13(15)16/h3-5,10H,6-9H2,1-2H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,9,15,16,14,4,6,3,7,18,17,13,19,5,20,21,11,12,2,8,10/E:(1,2)(6,7)(8,9)(15,16)(17,18)(19,20)/CRV:21.6/rA:21nCOCCNCCOCSOOCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;d10;d10;s10;s13;d14;s15;d16;d13s17;s17;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H19NO6S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:5.51961
Area:477.391
Solvation:-6.41516
Coulombic:-47.8206
Bond Count [?]
All:21
Single:15
Double:6
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:317.359
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:0.35
LogP (Chemaxon):0.36

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