2-(4-bromophenyl)sulfonyl-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine

C15H23BrN2O2S — CID 106615516

IUPAC2-(4-bromophenyl)sulfonyl-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCCN(CCS(=O)(=O)c1ccc(Br)cc1)CC1CCCN1
InChIInChI=1S/C15H23BrN2O2S/c1-2-18(12-14-4-3-9-17-14)10-11-21(19,20)15-7-5-13(16)6-8-15/h5-8,14,17H,2-4,9-12H2,1H3
InChIKeyYGARSJOGMSKJTK-UHFFFAOYSA-N
MW375.33 g/mol
LogP2.30
Rot. Bonds7

About 2-(4-bromophenyl)sulfonyl-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine

2-(4-bromophenyl)sulfonyl-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine (PubChem CID 106615516) has the molecular formula C15H23BrN2O2S and a molecular weight of 375.33 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfonyl-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfonyl-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
PubChem CID106615516
Molecular FormulaC15H23BrN2O2S
Molecular Weight375.33 g/mol
Exact Mass374.07
IUPAC Name2-(4-bromophenyl)sulfonyl-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCCN(CCS(=O)(=O)c1ccc(Br)cc1)CC1CCCN1
InChIInChI=1S/C15H23BrN2O2S/c1-2-18(12-14-4-3-9-17-14)10-11-21(19,20)15-7-5-13(16)6-8-15/h5-8,14,17H,2-4,9-12H2,1H3
InChIKeyYGARSJOGMSKJTK-UHFFFAOYSA-N
XLogP2.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-bromophenyl)sulfonyl-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine 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

N-ethyl-2-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106615294
2-[2-(4-bromophenyl)sulfonylethyl]piperidine
CID 134086037
N'-[2-(4-bromophenyl)sulfonylethyl]-N'-ethylethane-1,2-diamine
CID 114231205
(2R)-2-[(4-bromophenyl)sulfonylmethyl]piperidine
CID 97301336
4-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630089
N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 4715267
N-(4-bromophenyl)-2-[ethyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106615116
2-[2-ethylsulfonylethyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618300
2-(4-bromophenyl)sulfonyl-N-(cyclopropylmethyl)-N-methylethanamine
CID 51086821
N-[2-(4-bromophenyl)sulfonylethyl]-N-ethylazetidin-3-amine
CID 66181970
N-ethyl-N-(pyrrolidin-2-ylmethyl)-2-thiophen-3-ylethanamine
CID 106615069
2,4-dibromo-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608617

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfonyl-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine?
The IUPAC name of 2-(4-bromophenyl)sulfonyl-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine (CID 106615516) is 2-(4-bromophenyl)sulfonyl-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(4-bromophenyl)sulfonyl-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(4-bromophenyl)sulfonyl-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine is CCN(CCS(=O)(=O)c1ccc(Br)cc1)CC1CCCN1.
What is the InChIKey of 2-(4-bromophenyl)sulfonyl-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine?
The InChIKey is YGARSJOGMSKJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2S/c1-2-18(12-14-4-3-9-17-14)10-11-21(19,20)15-7-5-13(16)6-8-15/h5-8,14,17H,2-4,9-12H2,1H3.
What are the key properties of 2-(4-bromophenyl)sulfonyl-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine?
2-(4-bromophenyl)sulfonyl-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine has a molecular weight of 375.33 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfonyl-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 106615516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).