5-amino-N,N-diethyl-2-methylbenzenesulfonamide

C11H18N2O2S — CID 3643281

IUPAC5-amino-N,N-diethyl-2-methylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(N)ccc1C
InChIInChI=1S/C11H18N2O2S/c1-4-13(5-2)16(14,15)11-8-10(12)7-6-9(11)3/h6-8H,4-5,12H2,1-3H3
InChIKeyFNVYRAFIYQFRAX-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.61
Rot. Bonds4

About 5-amino-N,N-diethyl-2-methylbenzenesulfonamide

5-amino-N,N-diethyl-2-methylbenzenesulfonamide (PubChem CID 3643281) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 5-amino-N,N-diethyl-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N,N-diethyl-2-methylbenzenesulfonamide
PubChem CID3643281
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name5-amino-N,N-diethyl-2-methylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(N)ccc1C
InChIInChI=1S/C11H18N2O2S/c1-4-13(5-2)16(14,15)11-8-10(12)7-6-9(11)3/h6-8H,4-5,12H2,1-3H3
InChIKeyFNVYRAFIYQFRAX-UHFFFAOYSA-N
XLogP1.61
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-ethyl-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide
CID 54879902
5-amino-N,N,2-triethylbenzenesulfonamide
CID 43255626
5-amino-N-(2-cyanopropyl)-N-ethyl-2-methylbenzenesulfonamide
CID 61138965
5-amino-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 61433419
5-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methylbenzenesulfonamide
CID 103187524
5-amino-N-ethyl-N-(1-methoxypropan-2-yl)-2-methylbenzenesulfonamide
CID 61111850
5-amino-N,2-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60892303
2-[(5-amino-2-methylphenyl)sulfonyl-(2-methylpropyl)amino]acetamide
CID 61115794
5-amino-N,2-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43271671
5-amino-N,N-diethyl-2-pyrrolidin-1-ylbenzenesulfonamide
CID 28795814
4-methyl-3-propylsulfonylaniline
CID 62589386
4-amino-N-benzyl-N-ethyl-2-methylbenzenesulfonamide
CID 43258809

Frequently Asked Questions

What is the IUPAC name of 5-amino-N,N-diethyl-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N,N-diethyl-2-methylbenzenesulfonamide (CID 3643281) is 5-amino-N,N-diethyl-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N,N-diethyl-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N,N-diethyl-2-methylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1cc(N)ccc1C.
What is the InChIKey of 5-amino-N,N-diethyl-2-methylbenzenesulfonamide?
The InChIKey is FNVYRAFIYQFRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-4-13(5-2)16(14,15)11-8-10(12)7-6-9(11)3/h6-8H,4-5,12H2,1-3H3.
What are the key properties of 5-amino-N,N-diethyl-2-methylbenzenesulfonamide?
5-amino-N,N-diethyl-2-methylbenzenesulfonamide has a molecular weight of 242.34 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N,N-diethyl-2-methylbenzenesulfonamide is sourced from PubChem (CID 3643281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).