2,4-dichloro-N-(2-hydroxy-2-phenylethyl)-N-methylbenzenesulfonamide

C15H15Cl2NO3S — CID 23883569

IUPAC2,4-dichloro-N-(2-hydroxy-2-phenylethyl)-N-methylbenzenesulfonamide
SMILESCN(CC(O)c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H15Cl2NO3S/c1-18(10-14(19)11-5-3-2-4-6-11)22(20,21)15-8-7-12(16)9-13(15)17/h2-9,14,19H,10H2,1H3
InChIKeyNGLBSQULCNYEQL-UHFFFAOYSA-N
MW360.26 g/mol
LogP3.35
Rot. Bonds5

About 2,4-dichloro-N-(2-hydroxy-2-phenylethyl)-N-methylbenzenesulfonamide

2,4-dichloro-N-(2-hydroxy-2-phenylethyl)-N-methylbenzenesulfonamide (PubChem CID 23883569) has the molecular formula C15H15Cl2NO3S and a molecular weight of 360.26 g/mol. Its IUPAC name is 2,4-dichloro-N-(2-hydroxy-2-phenylethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-(2-hydroxy-2-phenylethyl)-N-methylbenzenesulfonamide
PubChem CID23883569
Molecular FormulaC15H15Cl2NO3S
Molecular Weight360.26 g/mol
Exact Mass359.01
IUPAC Name2,4-dichloro-N-(2-hydroxy-2-phenylethyl)-N-methylbenzenesulfonamide
SMILESCN(CC(O)c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H15Cl2NO3S/c1-18(10-14(19)11-5-3-2-4-6-11)22(20,21)15-8-7-12(16)9-13(15)17/h2-9,14,19H,10H2,1H3
InChIKeyNGLBSQULCNYEQL-UHFFFAOYSA-N
XLogP3.35
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.26
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-2-hydroxy-N-(2-hydroxy-2-phenylethyl)-N-methylbenzenesulfonamide
CID 3261239
2-cyano-N-(2-hydroxy-2-phenylethyl)-N-methylbenzenesulfonamide
CID 3431628
(1R)-2-[(2,4-dichlorophenyl)methyl-methylamino]-1-phenylethanol
CID 30980110
N-(2-hydroxy-2-phenylethyl)-4-iodo-N-methylbenzenesulfonamide
CID 4982665
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-fluoro-N-methylbenzenesulfonamide
CID 109411520
2,3-dichloro-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
CID 55060829
4-bromo-2-chloro-N-(2,2-difluoroethyl)-N-methylbenzenesulfonamide
CID 115611951
2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-[(2S)-2-hydroxy-2-phenylethyl]-N-methylbenzenesulfonamide
CID 134231963
2-fluoro-N-(2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide
CID 118740633
2,4-dichloro-N-methyl-N-(9-oxofluoren-2-yl)benzenesulfonamide
CID 90665335
N-[(2S)-2-amino-2-(3-chlorophenyl)ethyl]-N-methyl-2-nitrobenzenesulfonamide
CID 118045765
N-[(2S)-1-[[(2S)-3-[(2,4-dichlorophenyl)sulfonyl-methylamino]-2-hydroxypropyl]amino]-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide
CID 59008256

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(2-hydroxy-2-phenylethyl)-N-methylbenzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-(2-hydroxy-2-phenylethyl)-N-methylbenzenesulfonamide (CID 23883569) is 2,4-dichloro-N-(2-hydroxy-2-phenylethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-(2-hydroxy-2-phenylethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-(2-hydroxy-2-phenylethyl)-N-methylbenzenesulfonamide is CN(CC(O)c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(2-hydroxy-2-phenylethyl)-N-methylbenzenesulfonamide?
The InChIKey is NGLBSQULCNYEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO3S/c1-18(10-14(19)11-5-3-2-4-6-11)22(20,21)15-8-7-12(16)9-13(15)17/h2-9,14,19H,10H2,1H3.
What are the key properties of 2,4-dichloro-N-(2-hydroxy-2-phenylethyl)-N-methylbenzenesulfonamide?
2,4-dichloro-N-(2-hydroxy-2-phenylethyl)-N-methylbenzenesulfonamide has a molecular weight of 360.26 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(2-hydroxy-2-phenylethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 23883569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).