4-bromo-2,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide

C15H23BrN2O5S — CID 16644709

IUPAC4-bromo-2,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NCCCN2CCOCC2)c(OC)cc1Br
InChIInChI=1S/C15H23BrN2O5S/c1-21-13-11-15(14(22-2)10-12(13)16)24(19,20)17-4-3-5-18-6-8-23-9-7-18/h10-11,17H,3-9H2,1-2H3
InChIKeySHNKMISZYPIHMP-UHFFFAOYSA-N
MW423.33 g/mol
LogP1.47
Rot. Bonds8

About 4-bromo-2,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide

4-bromo-2,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide (PubChem CID 16644709) has the molecular formula C15H23BrN2O5S and a molecular weight of 423.33 g/mol. Its IUPAC name is 4-bromo-2,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
PubChem CID16644709
Molecular FormulaC15H23BrN2O5S
Molecular Weight423.33 g/mol
Exact Mass422.05
IUPAC Name4-bromo-2,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NCCCN2CCOCC2)c(OC)cc1Br
InChIInChI=1S/C15H23BrN2O5S/c1-21-13-11-15(14(22-2)10-12(13)16)24(19,20)17-4-3-5-18-6-8-23-9-7-18/h10-11,17H,3-9H2,1-2H3
InChIKeySHNKMISZYPIHMP-UHFFFAOYSA-N
XLogP1.47
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.33
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-methoxy-N-[2-(4-morpholinyl)ethyl]benzenesulfonamide
CID 1143545
5-bromo-2-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 2059491
4-(4-Bromo-2-ethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 2969390
1-[(4-Bromo-2,5-dimethoxyphenyl)sulfonyl]-4-methylpiperazine
CID 660834
2,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide;hydrochloride
CID 16302059
1-(4-Bromo-2,5-dimethoxyphenyl)sulfonylazepane
CID 566593
2,5-diethoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 2266596
1-(4-Bromo-2,5-dimethoxybenzenesulfonyl)piperidine
CID 1143554
4-bromo-N-(2-morpholin-4-yl-ethyl)-2-trifluoromethoxy-benzene sulfonamide
CID 6736444
4-(4-Bromo-2,5-dimethoxybenzenesulfonyl)morpholine
CID 1143556
4-bromo-3-ethoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 6461465
4-bromo-N-(3-(dimethylamino)propyl)-2,5-dimethoxybenzenesulfonamide
CID 8721951

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide (CID 16644709) is 4-bromo-2,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide is COc1cc(S(=O)(=O)NCCCN2CCOCC2)c(OC)cc1Br.
What is the InChIKey of 4-bromo-2,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The InChIKey is SHNKMISZYPIHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O5S/c1-21-13-11-15(14(22-2)10-12(13)16)24(19,20)17-4-3-5-18-6-8-23-9-7-18/h10-11,17H,3-9H2,1-2H3.
What are the key properties of 4-bromo-2,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
4-bromo-2,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide has a molecular weight of 423.33 g/mol, XLogP of 1.47, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 16644709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).