General
Preferred name
O-Toluenesulfonamide
Synonyms
2-Methylbenzene-1-sulfonamide ()
P&D ID
PD055397
CAS
8013-74-9
88-19-7
Tags
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
PRICE 29
DESCRIPTION o-Toluenesulfonamide shows inhibitory activity against carbonic anhydrase. (Enamine Bioactive Compounds)
DESCRIPTION 2-Methylbenzene-1-sulfonamide is used for saccharin, pharmaceutical intermediates, etc. (TargetMol Bioactive Compound Library)
Compound Sets
2
Enamine Bioactive Compounds
EBC-03227
TargetMol Bioactive Compound Library
T0571
External IDs
25
Properties
(calculated by RDKit )
Molecular Weight
171.04
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
1
Rotatable Bonds
1
Ring Count
1
Aromatic Ring Count
1
cLogP
0.64
TPSA
60.16
Fraction CSP3
0.14
Chiral centers
0.0
Largest ring
6.0
QED
0.67
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Source data