4-(2-cyclopentyloxyethylamino)-N,N-dimethylbenzenesulfonamide

C15H24N2O3S — CID 63827194

IUPAC4-(2-cyclopentyloxyethylamino)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NCCOC2CCCC2)cc1
InChIInChI=1S/C15H24N2O3S/c1-17(2)21(18,19)15-9-7-13(8-10-15)16-11-12-20-14-5-3-4-6-14/h7-10,14,16H,3-6,11-12H2,1-2H3
InChIKeyMHJICOIQHBIWNL-UHFFFAOYSA-N
MW312.43 g/mol
LogP2.31
Rot. Bonds7

About 4-(2-cyclopentyloxyethylamino)-N,N-dimethylbenzenesulfonamide

4-(2-cyclopentyloxyethylamino)-N,N-dimethylbenzenesulfonamide (PubChem CID 63827194) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is 4-(2-cyclopentyloxyethylamino)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2-cyclopentyloxyethylamino)-N,N-dimethylbenzenesulfonamide
PubChem CID63827194
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC Name4-(2-cyclopentyloxyethylamino)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NCCOC2CCCC2)cc1
InChIInChI=1S/C15H24N2O3S/c1-17(2)21(18,19)15-9-7-13(8-10-15)16-11-12-20-14-5-3-4-6-14/h7-10,14,16H,3-6,11-12H2,1-2H3
InChIKeyMHJICOIQHBIWNL-UHFFFAOYSA-N
XLogP2.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(2-hydroxyethoxy)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 62498471
N-(2-cyclopentyloxyethyl)-4-nitroaniline
CID 60964997
4-(2-hydroxyethylamino)-N,N-dimethylbenzenesulfonamide
CID 43453910
4-[(2-hydroxycyclohexyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 64910626
N,N-dimethyl-4-(2-pyrrolidin-2-ylethylamino)benzenesulfonamide
CID 114794395
4-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 61147188
N,N-dimethyl-4-(4-methylpentylamino)benzenesulfonamide
CID 54913685
4-(5-chloropentylamino)-N,N-dimethylbenzenesulfonamide
CID 107320547
4-[(4-chlorocyclohexyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 106125831
4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N,N-dimethylbenzenesulfonamide
CID 62842954
4-(ethylamino)-N,N-dimethylbenzenesulfonamide
CID 43415076
N,N-dimethyl-4-[3-[methyl(propan-2-yl)amino]propylamino]benzenesulfonamide
CID 106048559

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopentyloxyethylamino)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-(2-cyclopentyloxyethylamino)-N,N-dimethylbenzenesulfonamide (CID 63827194) is 4-(2-cyclopentyloxyethylamino)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-(2-cyclopentyloxyethylamino)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-(2-cyclopentyloxyethylamino)-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(NCCOC2CCCC2)cc1.
What is the InChIKey of 4-(2-cyclopentyloxyethylamino)-N,N-dimethylbenzenesulfonamide?
The InChIKey is MHJICOIQHBIWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-17(2)21(18,19)15-9-7-13(8-10-15)16-11-12-20-14-5-3-4-6-14/h7-10,14,16H,3-6,11-12H2,1-2H3.
What are the key properties of 4-(2-cyclopentyloxyethylamino)-N,N-dimethylbenzenesulfonamide?
4-(2-cyclopentyloxyethylamino)-N,N-dimethylbenzenesulfonamide has a molecular weight of 312.43 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopentyloxyethylamino)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 63827194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).