N-(4-hydroxy-1-phenylbutyl)propane-1-sulfonamide

C13H21NO3S — CID 111448436

IUPACN-(4-hydroxy-1-phenylbutyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC(CCCO)c1ccccc1
InChIInChI=1S/C13H21NO3S/c1-2-11-18(16,17)14-13(9-6-10-15)12-7-4-3-5-8-12/h3-5,7-8,13-15H,2,6,9-11H2,1H3
InChIKeyLDRQRGJUCNFSOK-UHFFFAOYSA-N
MW271.38 g/mol
LogP1.83
Rot. Bonds8

About N-(4-hydroxy-1-phenylbutyl)propane-1-sulfonamide

N-(4-hydroxy-1-phenylbutyl)propane-1-sulfonamide (PubChem CID 111448436) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is N-(4-hydroxy-1-phenylbutyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-hydroxy-1-phenylbutyl)propane-1-sulfonamide
PubChem CID111448436
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC NameN-(4-hydroxy-1-phenylbutyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC(CCCO)c1ccccc1
InChIInChI=1S/C13H21NO3S/c1-2-11-18(16,17)14-13(9-6-10-15)12-7-4-3-5-8-12/h3-5,7-8,13-15H,2,6,9-11H2,1H3
InChIKeyLDRQRGJUCNFSOK-UHFFFAOYSA-N
XLogP1.83
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,4-diphenylbutyl)propane-1-sulfonamide
CID 60580802
N-[(1R)-3-hydroxy-1-phenylpropyl]ethanesulfonamide
CID 111448440
[1-(dimethylsulfamoylamino)-4-hydroxybutyl]benzene
CID 75387205
N-[(1R)-3-hydroxy-1-phenylpropyl]-2-methylbutane-1-sulfonamide
CID 111448439
3-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]propane-1-sulfonamide
CID 107863619
N-[1-phenyl-2-(triazol-2-yl)ethyl]propane-1-sulfonamide
CID 121176556
5-(ethylamino)-5-phenylpentan-1-ol
CID 134172288
4-(methylamino)-N-(1-phenylpropyl)butane-1-sulfonamide
CID 106055066
4-[(4-methylcyclohexyl)amino]-4-phenylbutan-1-ol
CID 111467264
N-benzhydryl-2-hydroxyethanesulfonamide
CID 79589039
2-(butylsulfonylamino)-2-phenylacetic acid
CID 16775375
N-[(1R)-1-phenylpentyl]pyridine-2-sulfonamide
CID 101377427

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-1-phenylbutyl)propane-1-sulfonamide?
The IUPAC name of N-(4-hydroxy-1-phenylbutyl)propane-1-sulfonamide (CID 111448436) is N-(4-hydroxy-1-phenylbutyl)propane-1-sulfonamide.
What is the SMILES notation for N-(4-hydroxy-1-phenylbutyl)propane-1-sulfonamide?
The canonical SMILES for N-(4-hydroxy-1-phenylbutyl)propane-1-sulfonamide is CCCS(=O)(=O)NC(CCCO)c1ccccc1.
What is the InChIKey of N-(4-hydroxy-1-phenylbutyl)propane-1-sulfonamide?
The InChIKey is LDRQRGJUCNFSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-2-11-18(16,17)14-13(9-6-10-15)12-7-4-3-5-8-12/h3-5,7-8,13-15H,2,6,9-11H2,1H3.
What are the key properties of N-(4-hydroxy-1-phenylbutyl)propane-1-sulfonamide?
N-(4-hydroxy-1-phenylbutyl)propane-1-sulfonamide has a molecular weight of 271.38 g/mol, XLogP of 1.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-1-phenylbutyl)propane-1-sulfonamide is sourced from PubChem (CID 111448436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).