4-(2-bromoethyl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide

C14H21BrN2O3S — CID 110316594

IUPAC4-(2-bromoethyl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCN1CCOCC1)c1ccc(CCBr)cc1
InChIInChI=1S/C14H21BrN2O3S/c15-6-5-13-1-3-14(4-2-13)21(18,19)16-7-8-17-9-11-20-12-10-17/h1-4,16H,5-12H2
InChIKeyLEVSOWAPMPFNKL-UHFFFAOYSA-N
MW377.30 g/mol
LogP1.23
Rot. Bonds7

About 4-(2-bromoethyl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide

4-(2-bromoethyl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide (PubChem CID 110316594) has the molecular formula C14H21BrN2O3S and a molecular weight of 377.30 g/mol. Its IUPAC name is 4-(2-bromoethyl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-bromoethyl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide
PubChem CID110316594
Molecular FormulaC14H21BrN2O3S
Molecular Weight377.30 g/mol
Exact Mass376.05
IUPAC Name4-(2-bromoethyl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCN1CCOCC1)c1ccc(CCBr)cc1
InChIInChI=1S/C14H21BrN2O3S/c15-6-5-13-1-3-14(4-2-13)21(18,19)16-7-8-17-9-11-20-12-10-17/h1-4,16H,5-12H2
InChIKeyLEVSOWAPMPFNKL-UHFFFAOYSA-N
XLogP1.23
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.30
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-morpholin-4-ylethyl)-4-[4-(2-morpholin-4-ylethylsulfamoyl)phenoxy]benzenesulfonamide
CID 2908203
4-[(3-morpholin-4-ylpropylamino)methyl]-N-(2-phenylethyl)benzenesulfonamide
CID 91407227
4-(1-hydroxyethyl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 43507444
N-[2-(azepan-1-yl)ethyl]-4-(bromomethyl)benzenesulfonamide
CID 65481222
4-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 43348296
4-(bromomethyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 65481400
4-tert-butyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;oxalic acid
CID 56603480
N-(2-morpholin-4-ylethyl)naphthalene-2-sulfonamide chloride
CID 45109707
3-chloro-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 697764
3-amino-4-chloro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 29266796
4-(2-morpholin-4-ylethylsulfamoyl)-N-propan-2-ylbenzamide
CID 109058127
3-[4-(2-pyrrolidin-1-ylethylsulfamoyl)phenyl]propanoic acid
CID 45425049

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromoethyl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 4-(2-bromoethyl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide (CID 110316594) is 4-(2-bromoethyl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-bromoethyl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-(2-bromoethyl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide is O=S(=O)(NCCN1CCOCC1)c1ccc(CCBr)cc1.
What is the InChIKey of 4-(2-bromoethyl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The InChIKey is LEVSOWAPMPFNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O3S/c15-6-5-13-1-3-14(4-2-13)21(18,19)16-7-8-17-9-11-20-12-10-17/h1-4,16H,5-12H2.
What are the key properties of 4-(2-bromoethyl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
4-(2-bromoethyl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide has a molecular weight of 377.30 g/mol, XLogP of 1.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromoethyl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 110316594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).