Chemical ID: 6694852

c1ccc2c(c1)c(no2)CS(=O)(=O)N[Na]
Chemical ID:
6694852
Name [?]:
benzo[d]isoxazol-3-ylmethylsulfonylaminosodium
SMILES [?]:
c1ccc2c(c1)c(no2)CS(=O)(=O)N[Na]
InChi [?]:
InChI=1/C8H7N2O3S.Na/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7;/h1-4H,5H2,(H-,9,11,12);/q-1;+1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,10,5,7,4,14,8,12,13,9,11;15/E:(11,12);/CRV:9-1,14.6;/rA:15nCCCCCCCNOCSOONNa/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s7;s10;d11;d11;s11;s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H7N2NaO3S
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:0.0
Area:0.0
Solvation:0.0
Coulombic:0.0
Bond Count [?]
All:16
Single:10
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:234.209
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.33
LogP (Chemaxon):1.15

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue