4-methyl-N-prop-1-ynyl-N-(2-prop-1-ynylphenyl)benzenesulfonamide

C19H17NO2S — CID 50936629

IUPAC4-methyl-N-prop-1-ynyl-N-(2-prop-1-ynylphenyl)benzenesulfonamide
SMILESCC#Cc1ccccc1N(C#CC)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H17NO2S/c1-4-8-17-9-6-7-10-19(17)20(15-5-2)23(21,22)18-13-11-16(3)12-14-18/h6-7,9-14H,1-3H3
InChIKeyJVSPGARMCBNVOI-UHFFFAOYSA-N
MW323.42 g/mol
LogP3.54
Rot. Bonds3

About 4-methyl-N-prop-1-ynyl-N-(2-prop-1-ynylphenyl)benzenesulfonamide

4-methyl-N-prop-1-ynyl-N-(2-prop-1-ynylphenyl)benzenesulfonamide (PubChem CID 50936629) has the molecular formula C19H17NO2S and a molecular weight of 323.42 g/mol. Its IUPAC name is 4-methyl-N-prop-1-ynyl-N-(2-prop-1-ynylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-prop-1-ynyl-N-(2-prop-1-ynylphenyl)benzenesulfonamide
PubChem CID50936629
Molecular FormulaC19H17NO2S
Molecular Weight323.42 g/mol
Exact Mass323.10
IUPAC Name4-methyl-N-prop-1-ynyl-N-(2-prop-1-ynylphenyl)benzenesulfonamide
SMILESCC#Cc1ccccc1N(C#CC)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H17NO2S/c1-4-8-17-9-6-7-10-19(17)20(15-5-2)23(21,22)18-13-11-16(3)12-14-18/h6-7,9-14H,1-3H3
InChIKeyJVSPGARMCBNVOI-UHFFFAOYSA-N
XLogP3.54
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methyl-N-prop-1-ynyl-N-(2-prop-1-ynylphenyl)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-cyano-N-(2-fluorophenyl)-4-methylbenzenesulfonamide
CID 155663443
4-methyl-N-[2-[3-(oxan-2-yloxy)prop-1-ynyl]phenyl]-N-(2-trimethylsilylethynyl)benzenesulfonamide
CID 12031116
tert-butyl 5-[2-(2-ethynyl-N-(4-methylphenyl)sulfonylanilino)ethynyl]furan-2-carboxylate
CID 50936660
N-benzyl-N-[2-[benzyl-(4-methylphenyl)sulfonylamino]ethynyl]-4-methylbenzenesulfonamide
CID 162397950
4-methyl-N-(2-methylphenyl)benzenesulfonohydrazide
CID 175041346
4-methyl-N-phenyl-N-(2-pyridin-2-ylethynyl)benzenesulfonamide
CID 11290994
4-methyl-N-[2-(2-phenylethynyl)phenyl]-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide
CID 177481573
N-[2-[2-(2-iodoethynyl)phenyl]ethynyl]-4-methyl-N-(6-oxohexyl)benzenesulfonamide
CID 46930946
4-methyl-N-[2-[5-(oxan-2-yloxymethyl)furan-2-yl]ethynyl]-N-[2-(2-trimethylsilylethynyl)phenyl]benzenesulfonamide
CID 50936633
N-benzyl-N-(3-hydroxyprop-1-ynyl)-4-methylbenzenesulfonamide
CID 101479028
N-(2-formylphenyl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide
CID 139086666
4-methyl-N-(1-phenylethyl)-N-(2-thiophen-2-ylethynyl)benzenesulfonamide
CID 134922970

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-prop-1-ynyl-N-(2-prop-1-ynylphenyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-prop-1-ynyl-N-(2-prop-1-ynylphenyl)benzenesulfonamide (CID 50936629) is 4-methyl-N-prop-1-ynyl-N-(2-prop-1-ynylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-prop-1-ynyl-N-(2-prop-1-ynylphenyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-prop-1-ynyl-N-(2-prop-1-ynylphenyl)benzenesulfonamide is CC#Cc1ccccc1N(C#CC)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-prop-1-ynyl-N-(2-prop-1-ynylphenyl)benzenesulfonamide?
The InChIKey is JVSPGARMCBNVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2S/c1-4-8-17-9-6-7-10-19(17)20(15-5-2)23(21,22)18-13-11-16(3)12-14-18/h6-7,9-14H,1-3H3.
What are the key properties of 4-methyl-N-prop-1-ynyl-N-(2-prop-1-ynylphenyl)benzenesulfonamide?
4-methyl-N-prop-1-ynyl-N-(2-prop-1-ynylphenyl)benzenesulfonamide has a molecular weight of 323.42 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-prop-1-ynyl-N-(2-prop-1-ynylphenyl)benzenesulfonamide is sourced from PubChem (CID 50936629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).