N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-phenylpropane-1-sulfonamide

C15H25NO3S — CID 80686932

IUPACN-ethyl-N-(2-hydroxy-2-methylpropyl)-2-phenylpropane-1-sulfonamide
SMILESCCN(CC(C)(C)O)S(=O)(=O)CC(C)c1ccccc1
InChIInChI=1S/C15H25NO3S/c1-5-16(12-15(3,4)17)20(18,19)11-13(2)14-9-7-6-8-10-14/h6-10,13,17H,5,11-12H2,1-4H3
InChIKeyQAVJMROUICTZJG-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.21
Rot. Bonds7

About N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-phenylpropane-1-sulfonamide

N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-phenylpropane-1-sulfonamide (PubChem CID 80686932) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-2-phenylpropane-1-sulfonamide
PubChem CID80686932
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-2-phenylpropane-1-sulfonamide
SMILESCCN(CC(C)(C)O)S(=O)(=O)CC(C)c1ccccc1
InChIInChI=1S/C15H25NO3S/c1-5-16(12-15(3,4)17)20(18,19)11-13(2)14-9-7-6-8-10-14/h6-10,13,17H,5,11-12H2,1-4H3
InChIKeyQAVJMROUICTZJG-UHFFFAOYSA-N
XLogP2.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[carboxymethyl(2-phenylpropylsulfonyl)amino]acetic acid
CID 80690137
3-[ethyl(2-phenylpropylsulfonyl)amino]-N'-hydroxypropanimidamide
CID 80690726
N-ethyl-2-phenyl-N-(pyridin-2-ylmethyl)propane-1-sulfonamide
CID 71914419
N-butyl-N-(2-chloroethyl)-2-phenylpropane-1-sulfonamide
CID 80687556
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenylpropane-1-sulfonamide
CID 80686410
1-(2-aminophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide
CID 79381244
2-phenylpropane-1-sulfonic acid
CID 18989058
2-[butan-2-yl(2-phenylpropylsulfonyl)amino]acetic acid
CID 80691416
2-[(2R)-2-phenylpropyl]sulfonylpropan-2-amine
CID 68807261
(4S)-2-methyl-4-phenylpentan-2-ol
CID 129361688
1-[(2-hydroxy-2-methylpropyl)-[(1R)-1-phenylethyl]amino]-2-methylpropan-2-ol
CID 15518749
3-(1-aminopropyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 79378974

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-phenylpropane-1-sulfonamide?
The IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-phenylpropane-1-sulfonamide (CID 80686932) is N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-phenylpropane-1-sulfonamide?
The canonical SMILES for N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-phenylpropane-1-sulfonamide is CCN(CC(C)(C)O)S(=O)(=O)CC(C)c1ccccc1.
What is the InChIKey of N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-phenylpropane-1-sulfonamide?
The InChIKey is QAVJMROUICTZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-5-16(12-15(3,4)17)20(18,19)11-13(2)14-9-7-6-8-10-14/h6-10,13,17H,5,11-12H2,1-4H3.
What are the key properties of N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-phenylpropane-1-sulfonamide?
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-phenylpropane-1-sulfonamide has a molecular weight of 299.44 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-phenylpropane-1-sulfonamide is sourced from PubChem (CID 80686932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).