1-(4-bromophenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine

C14H21BrN2O2S — CID 63175057

IUPAC1-(4-bromophenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(S(=O)(=O)c2ccc(Br)cc2)C1
InChIInChI=1S/C14H21BrN2O2S/c1-3-16(4-2)13-9-10-17(11-13)20(18,19)14-7-5-12(15)6-8-14/h5-8,13H,3-4,9-11H2,1-2H3
InChIKeyXOGOAMIJKRZVJZ-UHFFFAOYSA-N
MW361.31 g/mol
LogP2.55
Rot. Bonds5

About 1-(4-bromophenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine

1-(4-bromophenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine (PubChem CID 63175057) has the molecular formula C14H21BrN2O2S and a molecular weight of 361.31 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine
PubChem CID63175057
Molecular FormulaC14H21BrN2O2S
Molecular Weight361.31 g/mol
Exact Mass360.05
IUPAC Name1-(4-bromophenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(S(=O)(=O)c2ccc(Br)cc2)C1
InChIInChI=1S/C14H21BrN2O2S/c1-3-16(4-2)13-9-10-17(11-13)20(18,19)14-7-5-12(15)6-8-14/h5-8,13H,3-4,9-11H2,1-2H3
InChIKeyXOGOAMIJKRZVJZ-UHFFFAOYSA-N
XLogP2.55
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.31
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(diethylamino)pyrrolidin-1-yl]sulfonylbenzonitrile
CID 63513521
1-(2-amino-5-bromophenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine
CID 63168219
1-(4-amino-3-fluorophenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine
CID 82846137
3-(bromomethyl)-1-(4-bromophenyl)sulfonylpyrrolidine
CID 80675386
5-[3-(diethylamino)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-2-amine
CID 63175065
1-(2-chloropyrimidin-5-yl)sulfonyl-N,N-diethylpyrrolidin-3-amine
CID 63169046
4-[3-(diethylamino)pyrrolidin-1-yl]sulfonyl-1H-pyrrole-2-carboxylic acid
CID 63168236
5-[(3R)-3-(diethylamino)pyrrolidin-1-yl]sulfonyl-2-fluorobenzoic acid
CID 124683086
4-bromo-1-(4-bromophenyl)sulfonyl-3-methylpiperidine
CID 114683729
1-(4-bromophenyl)sulfonyl-4-methylpiperidine
CID 3118654
1-[1-(4-bromophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119977924
1-(4-bromophenyl)sulfonyl-4-ethoxypiperidine
CID 61217397

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine (CID 63175057) is 1-(4-bromophenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine is CCN(CC)C1CCN(S(=O)(=O)c2ccc(Br)cc2)C1.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine?
The InChIKey is XOGOAMIJKRZVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2S/c1-3-16(4-2)13-9-10-17(11-13)20(18,19)14-7-5-12(15)6-8-14/h5-8,13H,3-4,9-11H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine?
1-(4-bromophenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine has a molecular weight of 361.31 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine is sourced from PubChem (CID 63175057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).