CC1CC2=C(O1)C(=CC(=C2)S(=O)(=O)N)C(=O)OC
Name: methyl 2-methyl-5-sulfamoyl-2,3-dihydro-1-benzofuran-7-carboxylate
SMILES: CC1CC2=C(O1)C(=CC(=C2)S(=O)(=O)N)C(=O)OC

Molecular Processing

Molecular formula
C11H13NO5S
Molecular weight
271.29
Exact mass
271.0514
XLogP
0.44
TPSA
95.69
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
62.95

Supplementary Information

InChIKey: LKLMJQOFBDOJGT-UHFFFAOYSA-N
Synonyme
SCHEMBL10805809LKLMJQOFBDOJGT-UHFFFAOYSA-Nmethyl 2-methyl-5-sulfamoyl-2,3-dihydrobenzofuran-7-carboxylate
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