Chemical ID: 7007111

Cc1ccc(cc1)S(=O)(=O)N(CCO)CC(=O)O
Chemical ID:
7007111
Name [?]:
2-(2-hydroxyethyl-(p-tolylsulfonyl)amino)acetic acid
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)N(CCO)CC(=O)O
InChi [?]:
InChI=1/C11H15NO5S/c1-9-2-4-10(5-3-9)18(16,17)12(6-7-13)8-11(14)15/h2-5,13H,6-8H2,1H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,12,13,15,2,5,16,11,14,17,18,9,10,8/E:(2,3)(4,5)(14,15)(16,17)/CRV:18.6/rA:18cCCCCCCCSOONCCOCCOO/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;s13;s11;s15;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H15NO5S
All Atoms:33
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:7.27059
Area:429.511
Solvation:-3.46719
Coulombic:-51.3389
Bond Count [?]
All:18
Single:12
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:273.307
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:0.22
LogP (Chemaxon):0.74

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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