N,N-dimethyl-4-(2-pyrrolidin-2-ylethylamino)benzenesulfonamide

C14H23N3O2S — CID 114794395

IUPACN,N-dimethyl-4-(2-pyrrolidin-2-ylethylamino)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NCCC2CCCN2)cc1
InChIInChI=1S/C14H23N3O2S/c1-17(2)20(18,19)14-7-5-13(6-8-14)16-11-9-12-4-3-10-15-12/h5-8,12,15-16H,3-4,9-11H2,1-2H3
InChIKeyLKYDUAAZDOKXJJ-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.49
Rot. Bonds6

About N,N-dimethyl-4-(2-pyrrolidin-2-ylethylamino)benzenesulfonamide

N,N-dimethyl-4-(2-pyrrolidin-2-ylethylamino)benzenesulfonamide (PubChem CID 114794395) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N,N-dimethyl-4-(2-pyrrolidin-2-ylethylamino)benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(2-pyrrolidin-2-ylethylamino)benzenesulfonamide
PubChem CID114794395
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN,N-dimethyl-4-(2-pyrrolidin-2-ylethylamino)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NCCC2CCCN2)cc1
InChIInChI=1S/C14H23N3O2S/c1-17(2)20(18,19)14-7-5-13(6-8-14)16-11-9-12-4-3-10-15-12/h5-8,12,15-16H,3-4,9-11H2,1-2H3
InChIKeyLKYDUAAZDOKXJJ-UHFFFAOYSA-N
XLogP1.49
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-4-(2-pyrrolidin-2-ylethylamino)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

4-propylsulfonyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]aniline
CID 104973347
N,N-dimethyl-6-(pyrrolidin-2-ylmethylamino)pyridine-3-sulfonamide
CID 103341110
4-(2-cyclopentyloxyethylamino)-N,N-dimethylbenzenesulfonamide
CID 63827194
N,N-dimethyl-4-[methyl(piperidin-2-ylmethyl)amino]benzenesulfonamide
CID 106642118
4-methyl-3-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]aniline
CID 104973157
4-(2-hydroxyethylamino)-N,N-dimethylbenzenesulfonamide
CID 43453910
4-[(2-hydroxycyclohexyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 64910626
4-ethylsulfanyl-N-(2-piperidin-2-ylethyl)aniline
CID 115211012
1-methyl-N-(2-pyrrolidin-2-ylethyl)pyrazol-4-amine
CID 103568889
4-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 104972462
4-(ethylamino)-N,N-dimethylbenzenesulfonamide
CID 43415076
N-methyl-4-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607107

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(2-pyrrolidin-2-ylethylamino)benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-(2-pyrrolidin-2-ylethylamino)benzenesulfonamide (CID 114794395) is N,N-dimethyl-4-(2-pyrrolidin-2-ylethylamino)benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-(2-pyrrolidin-2-ylethylamino)benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-(2-pyrrolidin-2-ylethylamino)benzenesulfonamide is CN(C)S(=O)(=O)c1ccc(NCCC2CCCN2)cc1.
What is the InChIKey of N,N-dimethyl-4-(2-pyrrolidin-2-ylethylamino)benzenesulfonamide?
The InChIKey is LKYDUAAZDOKXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-17(2)20(18,19)14-7-5-13(6-8-14)16-11-9-12-4-3-10-15-12/h5-8,12,15-16H,3-4,9-11H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(2-pyrrolidin-2-ylethylamino)benzenesulfonamide?
N,N-dimethyl-4-(2-pyrrolidin-2-ylethylamino)benzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(2-pyrrolidin-2-ylethylamino)benzenesulfonamide is sourced from PubChem (CID 114794395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).