4-[(2-Hydroxyethyl)sulfanyl]benzenesulfonamide
Basic information
- CAS
108966-48-9- Standard SMILES
NS(=O)(=O)c1ccc(SCCO)cc1- InChIKey
LTXDVFFEVZJDGT-UHFFFAOYSA-N- Molecular formula
- C8H11NO3S2
- Average molar mass
- 233.3 g/mol
- Monoisotopic mass
- 233.01803556
Names & identifiers
- Preferred name
- 4-[(2-Hydroxyethyl)sulfanyl]benzenesulfonamide
- IUPAC
- 4-(2-hydroxyethylsulfanyl)benzenesulfonamide
Names & synonyms
4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide4-(2-hydroxyethylthio)benzenesulfonamideCHEMBL106848ZINC5570041108966-48-9Oprea1_182817Oprea1_7419324-[(2-hydroxyethyl)sulfanyl]benzene-1-sulfonamideSCHEMBL10532586DTXSID20401419LTXDVFFEVZJDGT-UHFFFAOYSA-NOCCSc1ccc(cc1)S(=O)(=O)N
Show more names
BDBM50406452MFCD01048825STK052864ZINC05570041AKOS0053861624-(2-Hydroxyethylthio)benzene sulfonamideC1=CC(=CC=C1SCCO)S(=O)(=O)NZINC000005570041
Database identifiers
- CAS
108966-48-9- PubChem CID
- 4269754
- DTXSID
DTXSID20401419- ChEMBL
CHEMBL106848- Nikkaji
- J459.500I
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 252
Experimental & physicochemical properties
LogP0.36
Related reactions
2 records
Compound notes
Loading…