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

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Related Compounds

1-Amino-2-phenylpropan-2-ol
CID 12362998
Benzhydrol, alpha-(aminomethyl)-, hydrochloride
CID 201827
1-Amino-2-(4-fluorophenyl)propan-2-ol
CID 24271637
4-Amino-2-phenylbutan-2-ol
CID 24975101
N-(2-hydroxy-2-phenylethyl)dodecane-1-sulfonamide
CID 71451220
N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]dodecane-1-sulfonamide
CID 71458408
N-[2-hydroxy-2-(4-methylphenyl)ethyl]dodecane-1-sulfonamide
CID 71460250
2-Amino-1,1-diphenylethanol
CID 201828
N-[(2S)-2-hydroxy-2-phenylpropyl]benzenesulfonamide
CID 3246205
1-Amino-2-phenylbutan-2-ol
CID 17831
1-Amino-2-phenylbutan-2-olato--hydrogen chlorido (1/1)
CID 17830
Benzenemethanol, alpha-(1-aminoethyl)-alpha-methyl-, hydrochloride (1:1)
CID 59829

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).