2,5-dibromo-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]benzenesulfonamide

C14H20Br2N2O3S — CID 56513113

IUPAC2,5-dibromo-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]benzenesulfonamide
SMILESCOCCN1CCCC1CNS(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C14H20Br2N2O3S/c1-21-8-7-18-6-2-3-12(18)10-17-22(19,20)14-9-11(15)4-5-13(14)16/h4-5,9,12,17H,2-3,6-8,10H2,1H3
InChIKeyUQMCVTZCOPDDLV-UHFFFAOYSA-N
MW456.20 g/mol
LogP2.60
Rot. Bonds7

About 2,5-dibromo-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]benzenesulfonamide

2,5-dibromo-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]benzenesulfonamide (PubChem CID 56513113) has the molecular formula C14H20Br2N2O3S and a molecular weight of 456.20 g/mol. Its IUPAC name is 2,5-dibromo-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]benzenesulfonamide
PubChem CID56513113
Molecular FormulaC14H20Br2N2O3S
Molecular Weight456.20 g/mol
Exact Mass453.96
IUPAC Name2,5-dibromo-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]benzenesulfonamide
SMILESCOCCN1CCCC1CNS(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C14H20Br2N2O3S/c1-21-8-7-18-6-2-3-12(18)10-17-22(19,20)14-9-11(15)4-5-13(14)16/h4-5,9,12,17H,2-3,6-8,10H2,1H3
InChIKeyUQMCVTZCOPDDLV-UHFFFAOYSA-N
XLogP2.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.20
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,5-dibromo-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]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

2,5-difluoro-N-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]benzenesulfonamide
CID 94825248
2,5-difluoro-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]benzenesulfonamide
CID 94825249
2,4-dibromo-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 113227180
N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 56512850
2,4,6-trichloro-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]benzenesulfonamide
CID 56514036
4-bromo-2-fluoro-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 103270066
N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]isoquinoline-5-sulfonamide
CID 99816349
2,5-dibromo-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 55210127
5-bromo-2-fluoro-3-(hydroxymethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 106022590
4-amino-2,6-dibromo-N-[(1-ethylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 43257821
N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-methylsulfonylbenzamide
CID 95271489
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,5-dimethoxybenzenesulfonamide
CID 95571348

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 2,5-dibromo-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]benzenesulfonamide (CID 56513113) is 2,5-dibromo-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]benzenesulfonamide is COCCN1CCCC1CNS(=O)(=O)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]benzenesulfonamide?
The InChIKey is UQMCVTZCOPDDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Br2N2O3S/c1-21-8-7-18-6-2-3-12(18)10-17-22(19,20)14-9-11(15)4-5-13(14)16/h4-5,9,12,17H,2-3,6-8,10H2,1H3.
What are the key properties of 2,5-dibromo-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]benzenesulfonamide?
2,5-dibromo-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]benzenesulfonamide has a molecular weight of 456.20 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 56513113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).