4-methyl-N-prop-2-enyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-ynyl]benzenesulfonamide

C19H26BNO4S — CID 11337825

IUPAC4-methyl-N-prop-2-enyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-ynyl]benzenesulfonamide
SMILESC=CCN(CC#CB1OC(C)(C)C(C)(C)O1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H26BNO4S/c1-7-14-21(26(22,23)17-11-9-16(2)10-12-17)15-8-13-20-24-18(3,4)19(5,6)25-20/h7,9-12H,1,14-15H2,2-6H3
InChIKeyMZNZEPGFVKXRFI-UHFFFAOYSA-N
MW375.30 g/mol
LogP2.81
Rot. Bonds5

About 4-methyl-N-prop-2-enyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-ynyl]benzenesulfonamide

4-methyl-N-prop-2-enyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-ynyl]benzenesulfonamide (PubChem CID 11337825) has the molecular formula C19H26BNO4S and a molecular weight of 375.30 g/mol. Its IUPAC name is 4-methyl-N-prop-2-enyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-ynyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-prop-2-enyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-ynyl]benzenesulfonamide
PubChem CID11337825
Molecular FormulaC19H26BNO4S
Molecular Weight375.30 g/mol
Exact Mass375.17
IUPAC Name4-methyl-N-prop-2-enyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-ynyl]benzenesulfonamide
SMILESC=CCN(CC#CB1OC(C)(C)C(C)(C)O1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H26BNO4S/c1-7-14-21(26(22,23)17-11-9-16(2)10-12-17)15-8-13-20-24-18(3,4)19(5,6)25-20/h7,9-12H,1,14-15H2,2-6H3
InChIKeyMZNZEPGFVKXRFI-UHFFFAOYSA-N
XLogP2.81
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.30
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methyl-N-prop-2-enyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-ynyl]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-(4-hydroxybut-2-ynyl)-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 11011363
methyl 4-[(4-methylphenyl)sulfonyl-prop-2-enylamino]but-2-ynoate
CID 101353324
4-methyl-N-[(E)-pent-2-en-4-ynyl]-N-prop-2-enylbenzenesulfonamide
CID 102262070
4-methyl-N-(3-naphthalen-1-ylprop-2-ynyl)-N-prop-2-enylbenzenesulfonamide
CID 102032373
N-[3-(2-formylcyclopenten-1-yl)prop-2-ynyl]-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 102106182
N-(2,2-dimethyl-3-oxopropyl)-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 10494105
2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]acetyl chloride
CID 102026013
4-methyl-N-(3-oxobutyl)-N-prop-2-enylbenzenesulfonamide
CID 102089023
N-(4-chlorobut-2-ynyl)-N-[(Z)-hex-2-enyl]-4-methylbenzenesulfonamide
CID 10871520
N-but-2-ynyl-N-hex-5-enyl-4-methylbenzenesulfonamide
CID 101013408
4-methyl-N-[[(2R,3S)-3-methyl-3-oct-1-ynyloxiran-2-yl]methyl]-N-prop-2-enylbenzenesulfonamide
CID 12062498
N-[(2R,3R)-2-hydroxy-3-(trimethylsilylmethyl)pent-4-enyl]-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 102473274

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-prop-2-enyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-ynyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-prop-2-enyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-ynyl]benzenesulfonamide (CID 11337825) is 4-methyl-N-prop-2-enyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-ynyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-prop-2-enyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-ynyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-prop-2-enyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-ynyl]benzenesulfonamide is C=CCN(CC#CB1OC(C)(C)C(C)(C)O1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-prop-2-enyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-ynyl]benzenesulfonamide?
The InChIKey is MZNZEPGFVKXRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26BNO4S/c1-7-14-21(26(22,23)17-11-9-16(2)10-12-17)15-8-13-20-24-18(3,4)19(5,6)25-20/h7,9-12H,1,14-15H2,2-6H3.
What are the key properties of 4-methyl-N-prop-2-enyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-ynyl]benzenesulfonamide?
4-methyl-N-prop-2-enyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-ynyl]benzenesulfonamide has a molecular weight of 375.30 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-prop-2-enyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-ynyl]benzenesulfonamide is sourced from PubChem (CID 11337825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).