3,5-dichloro-2-hydroxy-N-(2-hydroxy-2-phenylethyl)-N-methylbenzenesulfonamide

C15H15Cl2NO4S — CID 3261239

IUPAC3,5-dichloro-2-hydroxy-N-(2-hydroxy-2-phenylethyl)-N-methylbenzenesulfonamide
SMILESCN(CC(O)c1ccccc1)S(=O)(=O)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C15H15Cl2NO4S/c1-18(9-13(19)10-5-3-2-4-6-10)23(21,22)14-8-11(16)7-12(17)15(14)20/h2-8,13,19-20H,9H2,1H3
InChIKeyACHHAEPBMUXVQQ-UHFFFAOYSA-N
MW376.26 g/mol
LogP3.05
Rot. Bonds5

About 3,5-dichloro-2-hydroxy-N-(2-hydroxy-2-phenylethyl)-N-methylbenzenesulfonamide

3,5-dichloro-2-hydroxy-N-(2-hydroxy-2-phenylethyl)-N-methylbenzenesulfonamide (PubChem CID 3261239) has the molecular formula C15H15Cl2NO4S and a molecular weight of 376.26 g/mol. Its IUPAC name is 3,5-dichloro-2-hydroxy-N-(2-hydroxy-2-phenylethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-2-hydroxy-N-(2-hydroxy-2-phenylethyl)-N-methylbenzenesulfonamide
PubChem CID3261239
Molecular FormulaC15H15Cl2NO4S
Molecular Weight376.26 g/mol
Exact Mass375.01
IUPAC Name3,5-dichloro-2-hydroxy-N-(2-hydroxy-2-phenylethyl)-N-methylbenzenesulfonamide
SMILESCN(CC(O)c1ccccc1)S(=O)(=O)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C15H15Cl2NO4S/c1-18(9-13(19)10-5-3-2-4-6-10)23(21,22)14-8-11(16)7-12(17)15(14)20/h2-8,13,19-20H,9H2,1H3
InChIKeyACHHAEPBMUXVQQ-UHFFFAOYSA-N
XLogP3.05
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.26
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_A(43)', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-N-(2-hydroxy-2-phenylethyl)-N-methylbenzenesulfonamide
CID 23883569
2-cyano-N-(2-hydroxy-2-phenylethyl)-N-methylbenzenesulfonamide
CID 3431628
3,5-dichloro-2-hydroxy-N-[[4-[hydroxy(phenyl)methyl]phenyl]methyl]-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 143911703
N-(2-hydroxy-2-phenylethyl)-4-iodo-N-methylbenzenesulfonamide
CID 4982665
N-(3-amino-2-hydroxy-4-phenylbutyl)-3,5-dichloro-2-hydroxy-N-(2-methylpropyl)benzenesulfonamide
CID 77164093
3,5-dichloro-N-(4-chlorophenyl)-2-hydroxy-N-methylbenzenesulfonamide
CID 4985281
2,3-dichloro-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
CID 55060829
(1R)-2-[(2,4-dichlorophenyl)methyl-methylamino]-1-phenylethanol
CID 30980110
3,5-dichloro-N-(2-cyanoethyl)-2-hydroxy-N-phenylbenzenesulfonamide
CID 4987406
N-benzyl-3,5-dichloro-2-hydroxy-N-[(3-phenylphenyl)methyl]benzenesulfonamide
CID 146545797
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-fluoro-N-methylbenzenesulfonamide
CID 109411520
3,5-Dichloro-2-hydroxybenzenesulfonic acid disodium salt
CID 87271498

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-hydroxy-N-(2-hydroxy-2-phenylethyl)-N-methylbenzenesulfonamide?
The IUPAC name of 3,5-dichloro-2-hydroxy-N-(2-hydroxy-2-phenylethyl)-N-methylbenzenesulfonamide (CID 3261239) is 3,5-dichloro-2-hydroxy-N-(2-hydroxy-2-phenylethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-2-hydroxy-N-(2-hydroxy-2-phenylethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 3,5-dichloro-2-hydroxy-N-(2-hydroxy-2-phenylethyl)-N-methylbenzenesulfonamide is CN(CC(O)c1ccccc1)S(=O)(=O)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 3,5-dichloro-2-hydroxy-N-(2-hydroxy-2-phenylethyl)-N-methylbenzenesulfonamide?
The InChIKey is ACHHAEPBMUXVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO4S/c1-18(9-13(19)10-5-3-2-4-6-10)23(21,22)14-8-11(16)7-12(17)15(14)20/h2-8,13,19-20H,9H2,1H3.
What are the key properties of 3,5-dichloro-2-hydroxy-N-(2-hydroxy-2-phenylethyl)-N-methylbenzenesulfonamide?
3,5-dichloro-2-hydroxy-N-(2-hydroxy-2-phenylethyl)-N-methylbenzenesulfonamide has a molecular weight of 376.26 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-hydroxy-N-(2-hydroxy-2-phenylethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 3261239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).