2-amino-4-methyl-N-prop-2-enylbenzenesulfonamide

C10H14N2O2S — CID 61112895

IUPAC2-amino-4-methyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1ccc(C)cc1N
InChIInChI=1S/C10H14N2O2S/c1-3-6-12-15(13,14)10-5-4-8(2)7-9(10)11/h3-5,7,12H,1,6,11H2,2H3
InChIKeyWNCFJLZZBSXCHE-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.04
Rot. Bonds4

About 2-amino-4-methyl-N-prop-2-enylbenzenesulfonamide

2-amino-4-methyl-N-prop-2-enylbenzenesulfonamide (PubChem CID 61112895) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-amino-4-methyl-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-prop-2-enylbenzenesulfonamide
PubChem CID61112895
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name2-amino-4-methyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1ccc(C)cc1N
InChIInChI=1S/C10H14N2O2S/c1-3-6-12-15(13,14)10-5-4-8(2)7-9(10)11/h3-5,7,12H,1,6,11H2,2H3
InChIKeyWNCFJLZZBSXCHE-UHFFFAOYSA-N
XLogP1.04
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethyl-N-prop-2-enylbenzenesulfonamide
CID 19681800
2-bromo-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 60732174
2-amino-4-fluoro-N-prop-2-enylbenzenesulfonamide
CID 61111572
4-methyl-N,2-bis(prop-2-enyl)benzenesulfonamide
CID 11379736
2-amino-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 43258900
2-amino-4-methyl-N-prop-2-ynylbenzenesulfonamide
CID 61111569
2-amino-4-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 63981145
2-amino-N-[2-[ethyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide
CID 62636102
2-amino-N-(2-ethoxyethyl)-4-methylbenzenesulfonamide
CID 43590960
5-amino-2,4-difluoro-N-prop-2-enylbenzenesulfonamide
CID 61112133
2-amino-4-methyl-N-(3-phenylpropyl)benzenesulfonamide
CID 60905949
3-amino-2,4,6-trimethyl-N-prop-2-enylbenzenesulfonamide
CID 113469282

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 2-amino-4-methyl-N-prop-2-enylbenzenesulfonamide (CID 61112895) is 2-amino-4-methyl-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 2-amino-4-methyl-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 2-amino-4-methyl-N-prop-2-enylbenzenesulfonamide is C=CCNS(=O)(=O)c1ccc(C)cc1N.
What is the InChIKey of 2-amino-4-methyl-N-prop-2-enylbenzenesulfonamide?
The InChIKey is WNCFJLZZBSXCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-3-6-12-15(13,14)10-5-4-8(2)7-9(10)11/h3-5,7,12H,1,6,11H2,2H3.
What are the key properties of 2-amino-4-methyl-N-prop-2-enylbenzenesulfonamide?
2-amino-4-methyl-N-prop-2-enylbenzenesulfonamide has a molecular weight of 226.30 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 61112895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).