N-(2-hydroxy-2-phenylbutyl)-2-methylpropane-2-sulfonamide

C14H23NO3S — CID 102043543

IUPACN-(2-hydroxy-2-phenylbutyl)-2-methylpropane-2-sulfonamide
SMILESCCC(O)(CNS(=O)(=O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C14H23NO3S/c1-5-14(16,12-9-7-6-8-10-12)11-15-19(17,18)13(2,3)4/h6-10,15-16H,5,11H2,1-4H3
InChIKeySEQMYNBDYMITHD-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.00
Rot. Bonds5

About N-(2-hydroxy-2-phenylbutyl)-2-methylpropane-2-sulfonamide

N-(2-hydroxy-2-phenylbutyl)-2-methylpropane-2-sulfonamide (PubChem CID 102043543) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylbutyl)-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylbutyl)-2-methylpropane-2-sulfonamide
PubChem CID102043543
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC NameN-(2-hydroxy-2-phenylbutyl)-2-methylpropane-2-sulfonamide
SMILESCCC(O)(CNS(=O)(=O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C14H23NO3S/c1-5-14(16,12-9-7-6-8-10-12)11-15-19(17,18)13(2,3)4/h6-10,15-16H,5,11H2,1-4H3
InChIKeySEQMYNBDYMITHD-UHFFFAOYSA-N
XLogP2.00
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-hydroxy-2-phenylbutyl)-2-methylpropane-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-hydroxy-2-phenylpent-4-enyl)-2-methylpropane-2-sulfonamide
CID 102043544
N-[(2S)-2-hydroxy-2-phenylpropyl]methanesulfonamide
CID 95368033
N-[2-(4-bromophenyl)-2-hydroxybutyl]ethanesulfonamide
CID 71969759
6-methylsulfonyl-3-phenylhexan-3-ol
CID 65146576
1-amino-3-phenylpentan-3-ol
CID 79006155
(2-hydroxy-2-phenylbutyl) sulfamate
CID 88672538
(2S)-1-bromo-2-phenylbutan-2-ol
CID 101213758
4-hydroxy-1,1,1,4-tetraphenylhexan-2-one
CID 13396368
7,7,7-trifluoro-3-phenylheptan-3-ol
CID 113326695
5-ethyl-N-(2-hydroxy-2-phenylpropyl)thiophene-2-sulfonamide
CID 110664046
pentakis(tert-butylbenzene);N-ethylmethanesulfonamide;fluoromethane;methylsulfonylmethane;propan-2-one
CID 159211985
2-methylbutan-2-ylbenzene;N-(trifluoromethylsulfonyl)sulfamoyl chloride
CID 91503900

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylbutyl)-2-methylpropane-2-sulfonamide?
The IUPAC name of N-(2-hydroxy-2-phenylbutyl)-2-methylpropane-2-sulfonamide (CID 102043543) is N-(2-hydroxy-2-phenylbutyl)-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylbutyl)-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-(2-hydroxy-2-phenylbutyl)-2-methylpropane-2-sulfonamide is CCC(O)(CNS(=O)(=O)C(C)(C)C)c1ccccc1.
What is the InChIKey of N-(2-hydroxy-2-phenylbutyl)-2-methylpropane-2-sulfonamide?
The InChIKey is SEQMYNBDYMITHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-5-14(16,12-9-7-6-8-10-12)11-15-19(17,18)13(2,3)4/h6-10,15-16H,5,11H2,1-4H3.
What are the key properties of N-(2-hydroxy-2-phenylbutyl)-2-methylpropane-2-sulfonamide?
N-(2-hydroxy-2-phenylbutyl)-2-methylpropane-2-sulfonamide has a molecular weight of 285.41 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylbutyl)-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 102043543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).