Chemical ID: 3969099

c1ccc2c(c1)c(no2)CS(=O)(=O)N
Chemical ID:
3969099
Name [?]:
benzo[d]isoxazol-3-ylmethanesulfonamide
SMILES [?]:
c1ccc2c(c1)c(no2)CS(=O)(=O)N
InChi [?]:
InChI=1/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,10,5,7,4,14,8,12,13,9,11/E:(11,12)/CRV:14.6/rA:14nCCCCCCCNOCSOON/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s7;s10;d11;d11;s11;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H8N2O3S
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:4.8217
Area:356.773
Solvation:-4.09762
Coulombic:-17.7859
Bond Count [?]
All:15
Single:9
Double:6
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:212.227
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:0.47
LogP (Chemaxon):0.82

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