5-bromo-N-[1-(3,4-dimethoxyphenyl)propyl]-2-methoxybenzenesulfonamide

C18H22BrNO5S — CID 133199778

IUPAC5-bromo-N-[1-(3,4-dimethoxyphenyl)propyl]-2-methoxybenzenesulfonamide
SMILESCCC(NS(=O)(=O)c1cc(Br)ccc1OC)c1ccc(OC)c(OC)c1
InChIInChI=1S/C18H22BrNO5S/c1-5-14(12-6-8-15(23-2)17(10-12)25-4)20-26(21,22)18-11-13(19)7-9-16(18)24-3/h6-11,14,20H,5H2,1-4H3
InChIKeyAENNQLBYQPNZTK-UHFFFAOYSA-N
MW444.35 g/mol
LogP3.90
Rot. Bonds8

About 5-bromo-N-[1-(3,4-dimethoxyphenyl)propyl]-2-methoxybenzenesulfonamide

5-bromo-N-[1-(3,4-dimethoxyphenyl)propyl]-2-methoxybenzenesulfonamide (PubChem CID 133199778) has the molecular formula C18H22BrNO5S and a molecular weight of 444.35 g/mol. Its IUPAC name is 5-bromo-N-[1-(3,4-dimethoxyphenyl)propyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-[1-(3,4-dimethoxyphenyl)propyl]-2-methoxybenzenesulfonamide
PubChem CID133199778
Molecular FormulaC18H22BrNO5S
Molecular Weight444.35 g/mol
Exact Mass443.04
IUPAC Name5-bromo-N-[1-(3,4-dimethoxyphenyl)propyl]-2-methoxybenzenesulfonamide
SMILESCCC(NS(=O)(=O)c1cc(Br)ccc1OC)c1ccc(OC)c(OC)c1
InChIInChI=1S/C18H22BrNO5S/c1-5-14(12-6-8-15(23-2)17(10-12)25-4)20-26(21,22)18-11-13(19)7-9-16(18)24-3/h6-11,14,20H,5H2,1-4H3
InChIKeyAENNQLBYQPNZTK-UHFFFAOYSA-N
XLogP3.90
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.35
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-bromo-N-[1-(3,4-dimethoxyphenyl)propyl]-2-methoxybenzenesulfonamide 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-[1-(3,4-dimethoxyphenyl)propyl]-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 133210573
N-[1-(3,4-dimethoxyphenyl)propyl]-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 133184162
5-bromo-2-methoxy-N-[(2S)-pentan-2-yl]benzenesulfonamide
CID 92510421
3-[(5-bromo-2-methoxyphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 45439126
5-bromo-N-[1-(4-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 78665680
5-bromo-N-[1-(4-tert-butylphenyl)ethyl]-2-methoxybenzenesulfonamide
CID 133199241
5-bromo-N-(4-hydroxybutan-2-yl)-2-methoxybenzenesulfonamide
CID 113318211
4-methoxy-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-3-methylbenzenesulfonamide
CID 100769242
4-methoxy-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-3-methylbenzenesulfonamide
CID 100769240
5-fluoro-2-methoxy-N-[(1S)-1-phenylpropyl]benzenesulfonamide
CID 95118942
5-bromo-N-[1-(4-fluorophenyl)-2-methylpropyl]-2-methoxybenzenesulfonamide
CID 24511478
3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)propyl]benzenesulfonamide
CID 22772279

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(3,4-dimethoxyphenyl)propyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-bromo-N-[1-(3,4-dimethoxyphenyl)propyl]-2-methoxybenzenesulfonamide (CID 133199778) is 5-bromo-N-[1-(3,4-dimethoxyphenyl)propyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-[1-(3,4-dimethoxyphenyl)propyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-bromo-N-[1-(3,4-dimethoxyphenyl)propyl]-2-methoxybenzenesulfonamide is CCC(NS(=O)(=O)c1cc(Br)ccc1OC)c1ccc(OC)c(OC)c1.
What is the InChIKey of 5-bromo-N-[1-(3,4-dimethoxyphenyl)propyl]-2-methoxybenzenesulfonamide?
The InChIKey is AENNQLBYQPNZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO5S/c1-5-14(12-6-8-15(23-2)17(10-12)25-4)20-26(21,22)18-11-13(19)7-9-16(18)24-3/h6-11,14,20H,5H2,1-4H3.
What are the key properties of 5-bromo-N-[1-(3,4-dimethoxyphenyl)propyl]-2-methoxybenzenesulfonamide?
5-bromo-N-[1-(3,4-dimethoxyphenyl)propyl]-2-methoxybenzenesulfonamide has a molecular weight of 444.35 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(3,4-dimethoxyphenyl)propyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 133199778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).