Chemical ID: 3998092

c1ccc(c(c1)S(=O)(=O)NCC(=O)O)Br
Chemical ID:
3998092
Name [?]:
2-(2-bromophenyl)sulfonylaminoacetic acid
SMILES [?]:
c1ccc(c(c1)S(=O)(=O)NCC(=O)O)Br
InChi [?]:
InChI=1/C8H8BrNO4S/c9-6-3-1-2-4-7(6)15(13,14)10-5-8(11)12/h1-4,10H,5H2,(H,11,12)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,11,4,5,12,15,10,13,14,8,9,7/E:(11,12)(13,14)/CRV:15.6/rA:15nCCCCCCSOONCCOOBr/rB:s1;d2;s3;d4;d1s5;s5;d7;d7;s7;s10;s11;d12;s12;s4;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H8BrNO4S
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.83487
Area:391.929
Solvation:-2.96336
Coulombic:-38.5164
Bond Count [?]
All:15
Single:9
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:294.123
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:1.05
LogP (Chemaxon):1.26

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Descriptor Annotations

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