N-(1-hydroxy-2-methylpropan-2-yl)-2-phenylpropane-1-sulfonamide

C13H21NO3S — CID 80686473

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-2-phenylpropane-1-sulfonamide
SMILESCC(CS(=O)(=O)NC(C)(C)CO)c1ccccc1
InChIInChI=1S/C13H21NO3S/c1-11(12-7-5-4-6-8-12)9-18(16,17)14-13(2,3)10-15/h4-8,11,14-15H,9-10H2,1-3H3
InChIKeyJZIMGHRJCIDLLE-UHFFFAOYSA-N
MW271.38 g/mol
LogP1.48
Rot. Bonds6

About N-(1-hydroxy-2-methylpropan-2-yl)-2-phenylpropane-1-sulfonamide

N-(1-hydroxy-2-methylpropan-2-yl)-2-phenylpropane-1-sulfonamide (PubChem CID 80686473) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-2-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-2-phenylpropane-1-sulfonamide
PubChem CID80686473
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-2-phenylpropane-1-sulfonamide
SMILESCC(CS(=O)(=O)NC(C)(C)CO)c1ccccc1
InChIInChI=1S/C13H21NO3S/c1-11(12-7-5-4-6-8-12)9-18(16,17)14-13(2,3)10-15/h4-8,11,14-15H,9-10H2,1-3H3
InChIKeyJZIMGHRJCIDLLE-UHFFFAOYSA-N
XLogP1.48
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(2-phenylpropylsulfonylamino)propanoic acid
CID 80686315
N'-hydroxy-2-methyl-2-(2-phenylpropylsulfonylamino)propanimidamide
CID 80686938
N-(1,3-dihydroxypropan-2-yl)-2-phenylpropane-1-sulfonamide
CID 80686550
N-(1-amino-2-methylbutan-2-yl)-2-phenylpropane-1-sulfonamide
CID 80686091
2-methyl-2-(2-phenylpropylsulfonylamino)butanimidamide
CID 80688313
N-(3-hydroxy-2-methylpropyl)-2-phenylpropane-1-sulfonamide
CID 80686189
N-(2-amino-2-methylpropyl)-2-phenylpropane-1-sulfonamide
CID 113282766
N-(2-oxopropyl)-2-phenylpropane-1-sulfonamide
CID 80686698
N-(3-cyanopentan-3-yl)-2-phenylpropane-1-sulfonamide
CID 80686247
N-(2-bromo-4,4-dimethylpentyl)-2-phenylpropane-1-sulfonamide
CID 107158108
2-phenylpropane-1-sulfonic acid
CID 18989058
(2S)-4-hydroxy-2-(2-phenylpropylsulfonylamino)butanoic acid
CID 104935033

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-2-phenylpropane-1-sulfonamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-2-phenylpropane-1-sulfonamide (CID 80686473) is N-(1-hydroxy-2-methylpropan-2-yl)-2-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-2-phenylpropane-1-sulfonamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-2-phenylpropane-1-sulfonamide is CC(CS(=O)(=O)NC(C)(C)CO)c1ccccc1.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-2-phenylpropane-1-sulfonamide?
The InChIKey is JZIMGHRJCIDLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-11(12-7-5-4-6-8-12)9-18(16,17)14-13(2,3)10-15/h4-8,11,14-15H,9-10H2,1-3H3.
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-2-phenylpropane-1-sulfonamide?
N-(1-hydroxy-2-methylpropan-2-yl)-2-phenylpropane-1-sulfonamide has a molecular weight of 271.38 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-2-phenylpropane-1-sulfonamide is sourced from PubChem (CID 80686473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).