N-ethyl-2-(2-pyrrolidin-1-ylethylamino)benzenesulfonamide

C14H23N3O2S — CID 62640898

IUPACN-ethyl-2-(2-pyrrolidin-1-ylethylamino)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1NCCN1CCCC1
InChIInChI=1S/C14H23N3O2S/c1-2-16-20(18,19)14-8-4-3-7-13(14)15-9-12-17-10-5-6-11-17/h3-4,7-8,15-16H,2,5-6,9-12H2,1H3
InChIKeyOVOKZJHSSSKCOB-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.49
Rot. Bonds7

About N-ethyl-2-(2-pyrrolidin-1-ylethylamino)benzenesulfonamide

N-ethyl-2-(2-pyrrolidin-1-ylethylamino)benzenesulfonamide (PubChem CID 62640898) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-ethyl-2-(2-pyrrolidin-1-ylethylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-(2-pyrrolidin-1-ylethylamino)benzenesulfonamide
PubChem CID62640898
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-ethyl-2-(2-pyrrolidin-1-ylethylamino)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1NCCN1CCCC1
InChIInChI=1S/C14H23N3O2S/c1-2-16-20(18,19)14-8-4-3-7-13(14)15-9-12-17-10-5-6-11-17/h3-4,7-8,15-16H,2,5-6,9-12H2,1H3
InChIKeyOVOKZJHSSSKCOB-UHFFFAOYSA-N
XLogP1.49
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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

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Related Compounds

N-ethyl-2-(2-imidazol-1-ylethylamino)benzenesulfonamide
CID 61325529
2-[2-(cyclohexen-1-yl)ethylamino]-N-ethylbenzenesulfonamide
CID 61147344
N-ethyl-2-[3-(ethylamino)propylamino]benzenesulfonamide
CID 54907058
2-chloro-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 90938157
N-ethyl-2-[(4-methylpiperazin-1-yl)amino]benzenesulfonamide
CID 83025390
2-(2,2-dimethylbutylamino)-N-ethylbenzenesulfonamide
CID 103462606
N-ethyl-2-[(1-ethylpyrrolidin-2-yl)methylamino]benzenesulfonamide
CID 43454407
N-ethyl-2-[[(E)-pent-3-enyl]amino]benzenesulfonamide
CID 113465748
N-ethyl-2-(4-methylpentylamino)benzenesulfonamide
CID 54913733
2-chloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 62573332
N-ethyl-2-hydrazinylbenzenesulfonamide
CID 43454365
2-methylsulfonyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 78843443

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-pyrrolidin-1-ylethylamino)benzenesulfonamide?
The IUPAC name of N-ethyl-2-(2-pyrrolidin-1-ylethylamino)benzenesulfonamide (CID 62640898) is N-ethyl-2-(2-pyrrolidin-1-ylethylamino)benzenesulfonamide.
What is the SMILES notation for N-ethyl-2-(2-pyrrolidin-1-ylethylamino)benzenesulfonamide?
The canonical SMILES for N-ethyl-2-(2-pyrrolidin-1-ylethylamino)benzenesulfonamide is CCNS(=O)(=O)c1ccccc1NCCN1CCCC1.
What is the InChIKey of N-ethyl-2-(2-pyrrolidin-1-ylethylamino)benzenesulfonamide?
The InChIKey is OVOKZJHSSSKCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-2-16-20(18,19)14-8-4-3-7-13(14)15-9-12-17-10-5-6-11-17/h3-4,7-8,15-16H,2,5-6,9-12H2,1H3.
What are the key properties of N-ethyl-2-(2-pyrrolidin-1-ylethylamino)benzenesulfonamide?
N-ethyl-2-(2-pyrrolidin-1-ylethylamino)benzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-pyrrolidin-1-ylethylamino)benzenesulfonamide is sourced from PubChem (CID 62640898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).