N-(3-hydroxycyclobutyl)-2-phenylpropane-1-sulfonamide

C13H19NO3S — CID 80685896

IUPACN-(3-hydroxycyclobutyl)-2-phenylpropane-1-sulfonamide
SMILESCC(CS(=O)(=O)NC1CC(O)C1)c1ccccc1
InChIInChI=1S/C13H19NO3S/c1-10(11-5-3-2-4-6-11)9-18(16,17)14-12-7-13(15)8-12/h2-6,10,12-15H,7-9H2,1H3
InChIKeyVWOIXQRVDLCRID-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.23
Rot. Bonds5

About N-(3-hydroxycyclobutyl)-2-phenylpropane-1-sulfonamide

N-(3-hydroxycyclobutyl)-2-phenylpropane-1-sulfonamide (PubChem CID 80685896) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-(3-hydroxycyclobutyl)-2-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-hydroxycyclobutyl)-2-phenylpropane-1-sulfonamide
PubChem CID80685896
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC NameN-(3-hydroxycyclobutyl)-2-phenylpropane-1-sulfonamide
SMILESCC(CS(=O)(=O)NC1CC(O)C1)c1ccccc1
InChIInChI=1S/C13H19NO3S/c1-10(11-5-3-2-4-6-11)9-18(16,17)14-12-7-13(15)8-12/h2-6,10,12-15H,7-9H2,1H3
InChIKeyVWOIXQRVDLCRID-UHFFFAOYSA-N
XLogP1.23
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-methylpiperidin-3-yl)-2-phenylpropane-1-sulfonamide
CID 107585332
2-phenyl-N-[(3S)-piperidin-3-yl]propane-1-sulfonamide
CID 104982520
N-(1,3-dihydroxypropan-2-yl)-2-phenylpropane-1-sulfonamide
CID 80686550
N-(2-bromocyclopentyl)-2-phenylpropane-1-sulfonamide
CID 80686401
N-(2-cyclopropyl-2-hydroxyethyl)-2-phenylpropane-1-sulfonamide
CID 80685968
2-phenylpropane-1-sulfonic acid
CID 18989058
N-(2-oxopropyl)-2-phenylpropane-1-sulfonamide
CID 80686698
2-methyl-2-(2-phenylpropylsulfonylamino)propanoic acid
CID 80686315
N-(3-hydroxy-2-methylpropyl)-2-phenylpropane-1-sulfonamide
CID 80686189
3-(2-phenylpropylsulfonylamino)butanoic acid
CID 80686387
N-(1-hydroxy-2-methylpropan-2-yl)-2-phenylpropane-1-sulfonamide
CID 80686473
N-(3-hydroxybutyl)-2-phenylpropane-1-sulfonamide
CID 80686188

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxycyclobutyl)-2-phenylpropane-1-sulfonamide?
The IUPAC name of N-(3-hydroxycyclobutyl)-2-phenylpropane-1-sulfonamide (CID 80685896) is N-(3-hydroxycyclobutyl)-2-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-(3-hydroxycyclobutyl)-2-phenylpropane-1-sulfonamide?
The canonical SMILES for N-(3-hydroxycyclobutyl)-2-phenylpropane-1-sulfonamide is CC(CS(=O)(=O)NC1CC(O)C1)c1ccccc1.
What is the InChIKey of N-(3-hydroxycyclobutyl)-2-phenylpropane-1-sulfonamide?
The InChIKey is VWOIXQRVDLCRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-10(11-5-3-2-4-6-11)9-18(16,17)14-12-7-13(15)8-12/h2-6,10,12-15H,7-9H2,1H3.
What are the key properties of N-(3-hydroxycyclobutyl)-2-phenylpropane-1-sulfonamide?
N-(3-hydroxycyclobutyl)-2-phenylpropane-1-sulfonamide has a molecular weight of 269.37 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxycyclobutyl)-2-phenylpropane-1-sulfonamide is sourced from PubChem (CID 80685896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).