N-(2-hydroxy-2-methylpropyl)-N-methyl-4-propoxybenzenesulfonamide

C14H23NO4S — CID 79386966

IUPACN-(2-hydroxy-2-methylpropyl)-N-methyl-4-propoxybenzenesulfonamide
SMILESCCCOc1ccc(S(=O)(=O)N(C)CC(C)(C)O)cc1
InChIInChI=1S/C14H23NO4S/c1-5-10-19-12-6-8-13(9-7-12)20(17,18)15(4)11-14(2,3)16/h6-9,16H,5,10-11H2,1-4H3
InChIKeyXIRHTPIIQCFVLF-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.87
Rot. Bonds7

About N-(2-hydroxy-2-methylpropyl)-N-methyl-4-propoxybenzenesulfonamide

N-(2-hydroxy-2-methylpropyl)-N-methyl-4-propoxybenzenesulfonamide (PubChem CID 79386966) has the molecular formula C14H23NO4S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-N-methyl-4-propoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-N-methyl-4-propoxybenzenesulfonamide
PubChem CID79386966
Molecular FormulaC14H23NO4S
Molecular Weight301.41 g/mol
Exact Mass301.13
IUPAC NameN-(2-hydroxy-2-methylpropyl)-N-methyl-4-propoxybenzenesulfonamide
SMILESCCCOc1ccc(S(=O)(=O)N(C)CC(C)(C)O)cc1
InChIInChI=1S/C14H23NO4S/c1-5-10-19-12-6-8-13(9-7-12)20(17,18)15(4)11-14(2,3)16/h6-9,16H,5,10-11H2,1-4H3
InChIKeyXIRHTPIIQCFVLF-UHFFFAOYSA-N
XLogP1.87
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 79387236
N-(3-amino-2,2-dimethylpropyl)-4-(2-ethoxyethoxy)-N-methylbenzenesulfonamide
CID 119991812
(4-propoxyphenyl) 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate
CID 36569460
N-(2-hydroxy-2-methylpropyl)-N-methyl-6-(propylamino)pyridine-3-sulfonamide
CID 79386348
N-methyl-4-propoxy-N-[(2R)-1-sulfanylpropan-2-yl]benzenesulfonamide
CID 59983813
N-methyl-4-propoxy-N-(1-sulfanylpropan-2-yl)benzenesulfonamide
CID 22711658
3,4-dichloro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 79387697
4-(2-hydroxyethoxy)-N,N-dimethylbenzenesulfonamide
CID 63102404
3-amino-N-(2-hydroxy-2-methylpropyl)-4-methoxy-N-methylbenzenesulfonamide
CID 79382417
4-fluoro-N-[3-(4-fluorophenoxy)propyl]-N-methylbenzenesulfonamide
CID 60602045
1-[2-(4-methoxyphenoxy)ethyl-methylamino]-2-methylpropan-2-ol
CID 78927381
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-propoxybenzenesulfonamide
CID 90523134

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methyl-4-propoxybenzenesulfonamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methyl-4-propoxybenzenesulfonamide (CID 79386966) is N-(2-hydroxy-2-methylpropyl)-N-methyl-4-propoxybenzenesulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-N-methyl-4-propoxybenzenesulfonamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-N-methyl-4-propoxybenzenesulfonamide is CCCOc1ccc(S(=O)(=O)N(C)CC(C)(C)O)cc1.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-N-methyl-4-propoxybenzenesulfonamide?
The InChIKey is XIRHTPIIQCFVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4S/c1-5-10-19-12-6-8-13(9-7-12)20(17,18)15(4)11-14(2,3)16/h6-9,16H,5,10-11H2,1-4H3.
What are the key properties of N-(2-hydroxy-2-methylpropyl)-N-methyl-4-propoxybenzenesulfonamide?
N-(2-hydroxy-2-methylpropyl)-N-methyl-4-propoxybenzenesulfonamide has a molecular weight of 301.41 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-N-methyl-4-propoxybenzenesulfonamide is sourced from PubChem (CID 79386966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).