N-(3-hydroxy-3-phenylpropyl)butane-1-sulfonamide

C13H21NO3S — CID 111466269

IUPACN-(3-hydroxy-3-phenylpropyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCC(O)c1ccccc1
InChIInChI=1S/C13H21NO3S/c1-2-3-11-18(16,17)14-10-9-13(15)12-7-5-4-6-8-12/h4-8,13-15H,2-3,9-11H2,1H3
InChIKeyAKRIGQSGUPZHFW-UHFFFAOYSA-N
MW271.38 g/mol
LogP1.83
Rot. Bonds8

About N-(3-hydroxy-3-phenylpropyl)butane-1-sulfonamide

N-(3-hydroxy-3-phenylpropyl)butane-1-sulfonamide (PubChem CID 111466269) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is N-(3-hydroxy-3-phenylpropyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-phenylpropyl)butane-1-sulfonamide
PubChem CID111466269
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC NameN-(3-hydroxy-3-phenylpropyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCC(O)c1ccccc1
InChIInChI=1S/C13H21NO3S/c1-2-3-11-18(16,17)14-10-9-13(15)12-7-5-4-6-8-12/h4-8,13-15H,2-3,9-11H2,1H3
InChIKeyAKRIGQSGUPZHFW-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

Analyze N-(3-hydroxy-3-phenylpropyl)butane-1-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-[3-(4-fluorophenyl)-3-hydroxypropyl]propane-1-sulfonamide
CID 110665794
N-[(2S)-2-hydroxy-2-phenylethyl]propane-1-sulfonamide
CID 93084157
N-[(3S)-3-hydroxy-3-phenylpropyl]-2-(4-methoxyphenyl)ethanesulfonamide
CID 97038625
(1S)-1-phenylpentan-1-ol
CID 6992754
5-ethylsulfonyl-1-phenylpentan-1-ol
CID 65095328
1-(2-chlorophenyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]methanesulfonamide
CID 97014801
1-(2-chlorophenyl)-N-[(3R)-3-hydroxy-3-phenylpropyl]methanesulfonamide
CID 97014800
1-(2,6-difluorophenyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]methanesulfonamide
CID 97331122
(1R)-1-phenyloctan-1-ol
CID 12794259
N-[3-(furan-2-yl)-3-hydroxypropyl]propane-1-sulfonamide
CID 90523800
2-(butylsulfonylamino)-2-phenylacetic acid
CID 16775375
1-ethyl-2-[3-(ethylsulfonylamino)propyl]-3-(3-hydroxy-3-phenylpropyl)guanidine;hydroiodide
CID 111665241

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-phenylpropyl)butane-1-sulfonamide?
The IUPAC name of N-(3-hydroxy-3-phenylpropyl)butane-1-sulfonamide (CID 111466269) is N-(3-hydroxy-3-phenylpropyl)butane-1-sulfonamide.
What is the SMILES notation for N-(3-hydroxy-3-phenylpropyl)butane-1-sulfonamide?
The canonical SMILES for N-(3-hydroxy-3-phenylpropyl)butane-1-sulfonamide is CCCCS(=O)(=O)NCCC(O)c1ccccc1.
What is the InChIKey of N-(3-hydroxy-3-phenylpropyl)butane-1-sulfonamide?
The InChIKey is AKRIGQSGUPZHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-2-3-11-18(16,17)14-10-9-13(15)12-7-5-4-6-8-12/h4-8,13-15H,2-3,9-11H2,1H3.
What are the key properties of N-(3-hydroxy-3-phenylpropyl)butane-1-sulfonamide?
N-(3-hydroxy-3-phenylpropyl)butane-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-(3-hydroxy-3-phenylpropyl)butane-1-sulfonamide is sourced from PubChem (CID 111466269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).