Chemical ID: 3999639

c1ccc(cc1)CS(=O)(=O)NCC(=O)O
Chemical ID:
3999639
Name [?]:
2-benzylsulfonylaminoacetic acid
SMILES [?]:
c1ccc(cc1)CS(=O)(=O)NCC(=O)O
InChi [?]:
InChI=1/C9H11NO4S/c11-9(12)6-10-15(13,14)7-8-4-2-1-3-5-8/h1-5,10H,6-7H2,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,12,7,4,13,11,14,15,9,10,8/E:(2,3)(4,5)(11,12)(13,14)/CRV:15.6/rA:15nCCCCCCCSOONCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;d8;s8;s11;s12;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H11NO4S
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.07727
Area:401.152
Solvation:-3.95153
Coulombic:-36.9681
Bond Count [?]
All:15
Single:9
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:229.254
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:0.25
LogP (Chemaxon):0.31

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Descriptor Annotations

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