4-methyl-N,2-bis(prop-2-enyl)benzenesulfonamide

C13H17NO2S — CID 11379736

IUPAC4-methyl-N,2-bis(prop-2-enyl)benzenesulfonamide
SMILESC=CCNS(=O)(=O)c1ccc(C)cc1CC=C
InChIInChI=1S/C13H17NO2S/c1-4-6-12-10-11(3)7-8-13(12)17(15,16)14-9-5-2/h4-5,7-8,10,14H,1-2,6,9H2,3H3
InChIKeyRXRBEHQYHKRABE-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.19
Rot. Bonds6

About 4-methyl-N,2-bis(prop-2-enyl)benzenesulfonamide

4-methyl-N,2-bis(prop-2-enyl)benzenesulfonamide (PubChem CID 11379736) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is 4-methyl-N,2-bis(prop-2-enyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N,2-bis(prop-2-enyl)benzenesulfonamide
PubChem CID11379736
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC Name4-methyl-N,2-bis(prop-2-enyl)benzenesulfonamide
SMILESC=CCNS(=O)(=O)c1ccc(C)cc1CC=C
InChIInChI=1S/C13H17NO2S/c1-4-6-12-10-11(3)7-8-13(12)17(15,16)14-9-5-2/h4-5,7-8,10,14H,1-2,6,9H2,3H3
InChIKeyRXRBEHQYHKRABE-UHFFFAOYSA-N
XLogP2.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methyl-N,2-bis(prop-2-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

2,4-dimethyl-N-prop-2-enylbenzenesulfonamide
CID 19681800
2-bromo-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 60732174
2-amino-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 61112895
4-bromo-2,5-dimethyl-N-prop-2-enylbenzenesulfonamide
CID 25252496
2-amino-4-fluoro-N-prop-2-enylbenzenesulfonamide
CID 61111572
5-methoxy-2,4-dimethyl-N-prop-2-enylbenzenesulfonamide
CID 27261539
2-bromo-4-methyl-N-(3-methylbut-2-enyl)benzenesulfonamide
CID 103526936
4-chloro-N-(2-hydroxy-4-methylphenyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 9495516
2-but-3-enyl-4-methylbenzenesulfonamide
CID 175817922
5-methyl-2-prop-2-enylaniline
CID 45078970
5-bromo-2-methoxy-N-prop-2-enylbenzenesulfonamide
CID 27245863
1-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-2-methyl-3-prop-2-enylguanidine
CID 110980777

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N,2-bis(prop-2-enyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N,2-bis(prop-2-enyl)benzenesulfonamide (CID 11379736) is 4-methyl-N,2-bis(prop-2-enyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N,2-bis(prop-2-enyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N,2-bis(prop-2-enyl)benzenesulfonamide is C=CCNS(=O)(=O)c1ccc(C)cc1CC=C.
What is the InChIKey of 4-methyl-N,2-bis(prop-2-enyl)benzenesulfonamide?
The InChIKey is RXRBEHQYHKRABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S/c1-4-6-12-10-11(3)7-8-13(12)17(15,16)14-9-5-2/h4-5,7-8,10,14H,1-2,6,9H2,3H3.
What are the key properties of 4-methyl-N,2-bis(prop-2-enyl)benzenesulfonamide?
4-methyl-N,2-bis(prop-2-enyl)benzenesulfonamide has a molecular weight of 251.35 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N,2-bis(prop-2-enyl)benzenesulfonamide is sourced from PubChem (CID 11379736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).