N-[(Z)-4-deuterio-1-phenylpent-3-enyl]benzenesulfonamide

C17H19NO2S — CID 10968664

IUPACN-[(Z)-4-deuterio-1-phenylpent-3-enyl]benzenesulfonamide
SMILES[2H]/C(C)=C/CC(NS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO2S/c1-2-3-14-17(15-10-6-4-7-11-15)18-21(19,20)16-12-8-5-9-13-16/h2-13,17-18H,14H2,1H3/b3-2-/i2D
InChIKeyCDDSNAZOKCWTHS-YBZVBWJGSA-N
MW302.42 g/mol
LogP3.67
Rot. Bonds6

About N-[(Z)-4-deuterio-1-phenylpent-3-enyl]benzenesulfonamide

N-[(Z)-4-deuterio-1-phenylpent-3-enyl]benzenesulfonamide (PubChem CID 10968664) has the molecular formula C17H19NO2S and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[(Z)-4-deuterio-1-phenylpent-3-enyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-4-deuterio-1-phenylpent-3-enyl]benzenesulfonamide
PubChem CID10968664
Molecular FormulaC17H19NO2S
Molecular Weight302.42 g/mol
Exact Mass302.12
IUPAC NameN-[(Z)-4-deuterio-1-phenylpent-3-enyl]benzenesulfonamide
SMILES[2H]/C(C)=C/CC(NS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO2S/c1-2-3-14-17(15-10-6-4-7-11-15)18-21(19,20)16-12-8-5-9-13-16/h2-13,17-18H,14H2,1H3/b3-2-/i2D
InChIKeyCDDSNAZOKCWTHS-YBZVBWJGSA-N
XLogP3.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(Z)-4-deuterio-1-phenylpent-3-enyl]benzenesulfonamide 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-[(Z,1R)-1,4-diphenylbut-3-enyl]-4-methylbenzenesulfonamide
CID 11696524
4-methyl-N-(3-oxo-1-phenylpropyl)benzenesulfonamide
CID 16743861
N-[(1R)-2-(benzhydrylamino)-1-phenylethyl]benzenesulfonamide
CID 1369382
N-(2-amino-1-phenylethyl)-4-methylbenzenesulfonamide
CID 18003405
N-(2-diphenylphosphoryl-1-phenylethyl)benzenesulfonamide
CID 11091802
methyl 3-[(4-bromophenyl)sulfonylamino]-3-phenylpropanoate
CID 50739470
1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-disulfonamide
CID 101191621
N-(2-hydroxy-1-phenylethyl)-4-propan-2-ylbenzenesulfonamide
CID 4204448
N-(1-phenylethyl)benzenesulfonamide;hydrochloride
CID 70281153
N-[(1S)-2-methyl-1-phenylpropyl]benzenesulfonamide
CID 40522121
[2-[(4-methylphenyl)sulfonylamino]-2-phenylethyl] propanoate
CID 122211844
4-methyl-N-[1-(4-methylphenyl)-3-oxopropyl]benzenesulfonamide
CID 102380276

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-4-deuterio-1-phenylpent-3-enyl]benzenesulfonamide?
The IUPAC name of N-[(Z)-4-deuterio-1-phenylpent-3-enyl]benzenesulfonamide (CID 10968664) is N-[(Z)-4-deuterio-1-phenylpent-3-enyl]benzenesulfonamide.
What is the SMILES notation for N-[(Z)-4-deuterio-1-phenylpent-3-enyl]benzenesulfonamide?
The canonical SMILES for N-[(Z)-4-deuterio-1-phenylpent-3-enyl]benzenesulfonamide is [2H]/C(C)=C/CC(NS(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(Z)-4-deuterio-1-phenylpent-3-enyl]benzenesulfonamide?
The InChIKey is CDDSNAZOKCWTHS-YBZVBWJGSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-2-3-14-17(15-10-6-4-7-11-15)18-21(19,20)16-12-8-5-9-13-16/h2-13,17-18H,14H2,1H3/b3-2-/i2D.
What are the key properties of N-[(Z)-4-deuterio-1-phenylpent-3-enyl]benzenesulfonamide?
N-[(Z)-4-deuterio-1-phenylpent-3-enyl]benzenesulfonamide has a molecular weight of 302.42 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4-deuterio-1-phenylpent-3-enyl]benzenesulfonamide is sourced from PubChem (CID 10968664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).