N-(2-hydroxy-3-phenylpropyl)-2-methylbutane-1-sulfonamide

C14H23NO3S — CID 111439961

IUPACN-(2-hydroxy-3-phenylpropyl)-2-methylbutane-1-sulfonamide
SMILESCCC(C)CS(=O)(=O)NCC(O)Cc1ccccc1
InChIInChI=1S/C14H23NO3S/c1-3-12(2)11-19(17,18)15-10-14(16)9-13-7-5-4-6-8-13/h4-8,12,14-16H,3,9-11H2,1-2H3
InChIKeyWYQILEXJCIPUHN-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.56
Rot. Bonds8

About N-(2-hydroxy-3-phenylpropyl)-2-methylbutane-1-sulfonamide

N-(2-hydroxy-3-phenylpropyl)-2-methylbutane-1-sulfonamide (PubChem CID 111439961) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-(2-hydroxy-3-phenylpropyl)-2-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-phenylpropyl)-2-methylbutane-1-sulfonamide
PubChem CID111439961
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC NameN-(2-hydroxy-3-phenylpropyl)-2-methylbutane-1-sulfonamide
SMILESCCC(C)CS(=O)(=O)NCC(O)Cc1ccccc1
InChIInChI=1S/C14H23NO3S/c1-3-12(2)11-19(17,18)15-10-14(16)9-13-7-5-4-6-8-13/h4-8,12,14-16H,3,9-11H2,1-2H3
InChIKeyWYQILEXJCIPUHN-UHFFFAOYSA-N
XLogP1.56
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(2S)-2-hydroxy-2-phenylethyl]-2-methylbutane-1-sulfonamide
CID 97025412
N-(2-methyl-3-phenylpropyl)propane-1-sulfonamide
CID 110358143
N-[(2S)-2-hydroxy-3-phenylpropyl]acetamide
CID 95367778
N-(2-hydroxy-3-methylpentyl)-2-methylbutane-1-sulfonamide
CID 111440038
1-(pentan-2-ylamino)-3-phenylpropan-2-ol
CID 110884310
1-(2,4-difluorophenyl)-N-(2-hydroxy-3-phenylpropyl)methanesulfonamide
CID 110018886
5-ethyl-N-(2-hydroxy-3-phenylpropyl)thiophene-2-sulfonamide
CID 90534466
cis-(1R,2R)-2-[(2-hydroxy-3-phenylpropyl)sulfamoylmethyl]cyclopropane-1-carboxylic acid
CID 167914009
N-[(2S,4S)-4-hydroxy-2-methylpentyl]-1-phenylmethanesulfonamide
CID 95635513
1-(2-ethylbutyl)-3-(2-hydroxy-3-phenylpropyl)urea
CID 111102261
2-hydroxy-3-phenylpropane-1-sulfonic acid
CID 115029572
1-ethyl-N-(2-hydroxy-3-phenylpropyl)pyrazole-4-sulfonamide
CID 71911354

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-phenylpropyl)-2-methylbutane-1-sulfonamide?
The IUPAC name of N-(2-hydroxy-3-phenylpropyl)-2-methylbutane-1-sulfonamide (CID 111439961) is N-(2-hydroxy-3-phenylpropyl)-2-methylbutane-1-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-3-phenylpropyl)-2-methylbutane-1-sulfonamide?
The canonical SMILES for N-(2-hydroxy-3-phenylpropyl)-2-methylbutane-1-sulfonamide is CCC(C)CS(=O)(=O)NCC(O)Cc1ccccc1.
What is the InChIKey of N-(2-hydroxy-3-phenylpropyl)-2-methylbutane-1-sulfonamide?
The InChIKey is WYQILEXJCIPUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-3-12(2)11-19(17,18)15-10-14(16)9-13-7-5-4-6-8-13/h4-8,12,14-16H,3,9-11H2,1-2H3.
What are the key properties of N-(2-hydroxy-3-phenylpropyl)-2-methylbutane-1-sulfonamide?
N-(2-hydroxy-3-phenylpropyl)-2-methylbutane-1-sulfonamide has a molecular weight of 285.41 g/mol, XLogP of 1.56, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-phenylpropyl)-2-methylbutane-1-sulfonamide is sourced from PubChem (CID 111439961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).