N-(3-hydroxy-2-methoxy-2-methylpropyl)-3-phenylbenzenesulfonamide

C17H21NO4S — CID 166241521

IUPACN-(3-hydroxy-2-methoxy-2-methylpropyl)-3-phenylbenzenesulfonamide
SMILESCOC(C)(CO)CNS(=O)(=O)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C17H21NO4S/c1-17(13-19,22-2)12-18-23(20,21)16-10-6-9-15(11-16)14-7-4-3-5-8-14/h3-11,18-19H,12-13H2,1-2H3
InChIKeyKOKCFOGUTNYUNI-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.03
Rot. Bonds7

About N-(3-hydroxy-2-methoxy-2-methylpropyl)-3-phenylbenzenesulfonamide

N-(3-hydroxy-2-methoxy-2-methylpropyl)-3-phenylbenzenesulfonamide (PubChem CID 166241521) has the molecular formula C17H21NO4S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-(3-hydroxy-2-methoxy-2-methylpropyl)-3-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-methoxy-2-methylpropyl)-3-phenylbenzenesulfonamide
PubChem CID166241521
Molecular FormulaC17H21NO4S
Molecular Weight335.43 g/mol
Exact Mass335.12
IUPAC NameN-(3-hydroxy-2-methoxy-2-methylpropyl)-3-phenylbenzenesulfonamide
SMILESCOC(C)(CO)CNS(=O)(=O)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C17H21NO4S/c1-17(13-19,22-2)12-18-23(20,21)16-10-6-9-15(11-16)14-7-4-3-5-8-14/h3-11,18-19H,12-13H2,1-2H3
InChIKeyKOKCFOGUTNYUNI-UHFFFAOYSA-N
XLogP2.03
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxy-2,2-dimethylpropyl)benzenesulfonamide
CID 115362987
methyl 3-[(2,3-dihydroxy-2-methylpropyl)sulfamoyl]benzoate
CID 66170749
3-bromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 115650781
3-[(2-methoxy-2-methylpropyl)sulfamoyl]benzenesulfonyl chloride
CID 113450286
3-fluoro-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzenesulfonamide
CID 90599225
N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylbenzenesulfonamide
CID 103835067
3-(1-hydroxypropyl)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 104764772
N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-phenylbenzenesulfonamide
CID 4993242
N-(2-amino-2-methylpropyl)-3-(methoxymethyl)benzenesulfonamide
CID 99819230
3-cyano-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 115650765
N-(2-amino-2-methylpropyl)benzenesulfonamide;hydrochloride
CID 90081725
N,3-diphenylbenzenesulfonamide
CID 54513984

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-methoxy-2-methylpropyl)-3-phenylbenzenesulfonamide?
The IUPAC name of N-(3-hydroxy-2-methoxy-2-methylpropyl)-3-phenylbenzenesulfonamide (CID 166241521) is N-(3-hydroxy-2-methoxy-2-methylpropyl)-3-phenylbenzenesulfonamide.
What is the SMILES notation for N-(3-hydroxy-2-methoxy-2-methylpropyl)-3-phenylbenzenesulfonamide?
The canonical SMILES for N-(3-hydroxy-2-methoxy-2-methylpropyl)-3-phenylbenzenesulfonamide is COC(C)(CO)CNS(=O)(=O)c1cccc(-c2ccccc2)c1.
What is the InChIKey of N-(3-hydroxy-2-methoxy-2-methylpropyl)-3-phenylbenzenesulfonamide?
The InChIKey is KOKCFOGUTNYUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4S/c1-17(13-19,22-2)12-18-23(20,21)16-10-6-9-15(11-16)14-7-4-3-5-8-14/h3-11,18-19H,12-13H2,1-2H3.
What are the key properties of N-(3-hydroxy-2-methoxy-2-methylpropyl)-3-phenylbenzenesulfonamide?
N-(3-hydroxy-2-methoxy-2-methylpropyl)-3-phenylbenzenesulfonamide has a molecular weight of 335.43 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-methoxy-2-methylpropyl)-3-phenylbenzenesulfonamide is sourced from PubChem (CID 166241521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).