2-amino-4-methyl-N-prop-2-ynylbenzenesulfonamide

C10H12N2O2S — CID 61111569

IUPAC2-amino-4-methyl-N-prop-2-ynylbenzenesulfonamide
SMILESC#CCNS(=O)(=O)c1ccc(C)cc1N
InChIInChI=1S/C10H12N2O2S/c1-3-6-12-15(13,14)10-5-4-8(2)7-9(10)11/h1,4-5,7,12H,6,11H2,2H3
InChIKeyLZTYTJZJGPCQER-UHFFFAOYSA-N
MW224.28 g/mol
LogP0.49
Rot. Bonds3

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

2-amino-4-methyl-N-prop-2-ynylbenzenesulfonamide (PubChem CID 61111569) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-amino-4-methyl-N-prop-2-ynylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-prop-2-ynylbenzenesulfonamide
PubChem CID61111569
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name2-amino-4-methyl-N-prop-2-ynylbenzenesulfonamide
SMILESC#CCNS(=O)(=O)c1ccc(C)cc1N
InChIInChI=1S/C10H12N2O2S/c1-3-6-12-15(13,14)10-5-4-8(2)7-9(10)11/h1,4-5,7,12H,6,11H2,2H3
InChIKeyLZTYTJZJGPCQER-UHFFFAOYSA-N
XLogP0.49
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 43258900
methyl 3-amino-4-(prop-2-ynylsulfamoyl)benzoate
CID 61111198
2-amino-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 61112895
2-amino-4-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 63981145
2-amino-N-(2-ethoxyethyl)-4-methylbenzenesulfonamide
CID 43590960
2-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylbenzenesulfonamide
CID 83107893
2-amino-4-methyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 61106774
2-amino-N-[2-[ethyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide
CID 62636102
2-amino-4-methyl-N-(3-phenylpropyl)benzenesulfonamide
CID 60905949
5-amino-2-bromo-N-prop-2-ynylbenzenesulfonamide
CID 65207005
2-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylbenzenesulfonamide
CID 107843630
3-[2-[(2-amino-4-methylphenyl)sulfonylamino]ethyl]-1,1-dimethylurea
CID 83109055

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-prop-2-ynylbenzenesulfonamide?
The IUPAC name of 2-amino-4-methyl-N-prop-2-ynylbenzenesulfonamide (CID 61111569) is 2-amino-4-methyl-N-prop-2-ynylbenzenesulfonamide.
What is the SMILES notation for 2-amino-4-methyl-N-prop-2-ynylbenzenesulfonamide?
The canonical SMILES for 2-amino-4-methyl-N-prop-2-ynylbenzenesulfonamide is C#CCNS(=O)(=O)c1ccc(C)cc1N.
What is the InChIKey of 2-amino-4-methyl-N-prop-2-ynylbenzenesulfonamide?
The InChIKey is LZTYTJZJGPCQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-3-6-12-15(13,14)10-5-4-8(2)7-9(10)11/h1,4-5,7,12H,6,11H2,2H3.
What are the key properties of 2-amino-4-methyl-N-prop-2-ynylbenzenesulfonamide?
2-amino-4-methyl-N-prop-2-ynylbenzenesulfonamide has a molecular weight of 224.28 g/mol, XLogP of 0.49, 3 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-ynylbenzenesulfonamide is sourced from PubChem (CID 61111569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).