N-(2-hydroxy-2-phenylpent-4-enyl)-2-methylpropane-2-sulfonamide

C15H23NO3S — CID 102043544

IUPACN-(2-hydroxy-2-phenylpent-4-enyl)-2-methylpropane-2-sulfonamide
SMILESC=CCC(O)(CNS(=O)(=O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C15H23NO3S/c1-5-11-15(17,13-9-7-6-8-10-13)12-16-20(18,19)14(2,3)4/h5-10,16-17H,1,11-12H2,2-4H3
InChIKeyCONXRNMEBMJWOT-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.17
Rot. Bonds6

About N-(2-hydroxy-2-phenylpent-4-enyl)-2-methylpropane-2-sulfonamide

N-(2-hydroxy-2-phenylpent-4-enyl)-2-methylpropane-2-sulfonamide (PubChem CID 102043544) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylpent-4-enyl)-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylpent-4-enyl)-2-methylpropane-2-sulfonamide
PubChem CID102043544
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC NameN-(2-hydroxy-2-phenylpent-4-enyl)-2-methylpropane-2-sulfonamide
SMILESC=CCC(O)(CNS(=O)(=O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C15H23NO3S/c1-5-11-15(17,13-9-7-6-8-10-13)12-16-20(18,19)14(2,3)4/h5-10,16-17H,1,11-12H2,2-4H3
InChIKeyCONXRNMEBMJWOT-UHFFFAOYSA-N
XLogP2.17
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(2-hydroxy-2-phenylpent-4-enyl)-2-methylpropane-2-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-(2-hydroxy-2-phenylbutyl)-2-methylpropane-2-sulfonamide
CID 102043543
1-bromo-2-phenylpent-4-en-2-ol
CID 72801000
N-[(2S)-2-hydroxy-2-phenylpropyl]methanesulfonamide
CID 95368033
2-(benzenesulfonyl)pent-4-en-2-ylbenzene
CID 25111406
[1-(benzenesulfonyl)-1-fluorobut-3-enyl]sulfonylbenzene
CID 141207433
4-phenylhepta-1,6-diene-4-sulfonamide
CID 174876491
1-phenylbut-3-ene-1,1-diol
CID 134892936
(2S)-2-methyl-2-phenylpent-4-enal
CID 10866831
2-phenoxypent-4-en-2-ol;sulfuric acid
CID 70623007
3-[bis(prop-2-enyl)sulfamoylamino]-2-methyl-2-phenylpropanoic acid
CID 167947987
4-(4-methylphenyl)hepta-1,6-dien-4-ol
CID 12982478
methyl N-(2,2-diphenylpent-4-enyl)carbamate
CID 135072663

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylpent-4-enyl)-2-methylpropane-2-sulfonamide?
The IUPAC name of N-(2-hydroxy-2-phenylpent-4-enyl)-2-methylpropane-2-sulfonamide (CID 102043544) is N-(2-hydroxy-2-phenylpent-4-enyl)-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylpent-4-enyl)-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-(2-hydroxy-2-phenylpent-4-enyl)-2-methylpropane-2-sulfonamide is C=CCC(O)(CNS(=O)(=O)C(C)(C)C)c1ccccc1.
What is the InChIKey of N-(2-hydroxy-2-phenylpent-4-enyl)-2-methylpropane-2-sulfonamide?
The InChIKey is CONXRNMEBMJWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-5-11-15(17,13-9-7-6-8-10-13)12-16-20(18,19)14(2,3)4/h5-10,16-17H,1,11-12H2,2-4H3.
What are the key properties of N-(2-hydroxy-2-phenylpent-4-enyl)-2-methylpropane-2-sulfonamide?
N-(2-hydroxy-2-phenylpent-4-enyl)-2-methylpropane-2-sulfonamide has a molecular weight of 297.42 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylpent-4-enyl)-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 102043544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).