5-bromo-2-methoxy-N,N-dipropylbenzenesulfonamide

C13H20BrNO3S — CID 7749525

IUPAC5-bromo-2-methoxy-N,N-dipropylbenzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1cc(Br)ccc1OC
InChIInChI=1S/C13H20BrNO3S/c1-4-8-15(9-5-2)19(16,17)13-10-11(14)6-7-12(13)18-3/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyZAJPGIKZLICTBQ-UHFFFAOYSA-N
MW350.28 g/mol
LogP3.27
Rot. Bonds7

About 5-bromo-2-methoxy-N,N-dipropylbenzenesulfonamide

5-bromo-2-methoxy-N,N-dipropylbenzenesulfonamide (PubChem CID 7749525) has the molecular formula C13H20BrNO3S and a molecular weight of 350.28 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N,N-dipropylbenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N,N-dipropylbenzenesulfonamide
PubChem CID7749525
Molecular FormulaC13H20BrNO3S
Molecular Weight350.28 g/mol
Exact Mass349.03
IUPAC Name5-bromo-2-methoxy-N,N-dipropylbenzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1cc(Br)ccc1OC
InChIInChI=1S/C13H20BrNO3S/c1-4-8-15(9-5-2)19(16,17)13-10-11(14)6-7-12(13)18-3/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyZAJPGIKZLICTBQ-UHFFFAOYSA-N
XLogP3.27
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.28
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-bromo-2-methoxy-N,N-dipropylbenzenesulfonamide 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

5-bromo-2-methoxy-N-propan-2-yl-N-propylbenzenesulfonamide
CID 54922238
5-bromo-N-[2-(diethylamino)ethyl]-N-ethyl-2-methoxybenzenesulfonamide
CID 3751126
5-bromo-N-ethyl-2-methoxy-N-(2-methylbutyl)benzenesulfonamide
CID 79470791
5-bromo-N-(2-hydroxyethyl)-2-methoxy-N-methylbenzenesulfonamide
CID 15590963
5-bromo-N-(2-hydroxyethyl)-2-methoxy-N-prop-2-enylbenzenesulfonamide
CID 115754627
5-bromo-2-methoxy-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63301153
N-(2-cyanoethyl)-2,5-dimethoxy-N-propylbenzenesulfonamide
CID 3711528
N-(2-aminoethyl)-N-benzyl-5-bromo-2-methoxybenzenesulfonamide;hydrochloride
CID 120584229
2,4-dimethoxy-N,N-dipropylbenzenesulfonamide
CID 19682152
5-bromo-2-methoxy-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 113356114
5-bromo-N-(1-cyanoethyl)-N-ethyl-2-methoxybenzenesulfonamide
CID 167978214
methyl 2-[(2-methoxy-5-methylphenyl)sulfonyl-propylamino]acetate
CID 61072284

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N,N-dipropylbenzenesulfonamide?
The IUPAC name of 5-bromo-2-methoxy-N,N-dipropylbenzenesulfonamide (CID 7749525) is 5-bromo-2-methoxy-N,N-dipropylbenzenesulfonamide.
What is the SMILES notation for 5-bromo-2-methoxy-N,N-dipropylbenzenesulfonamide?
The canonical SMILES for 5-bromo-2-methoxy-N,N-dipropylbenzenesulfonamide is CCCN(CCC)S(=O)(=O)c1cc(Br)ccc1OC.
What is the InChIKey of 5-bromo-2-methoxy-N,N-dipropylbenzenesulfonamide?
The InChIKey is ZAJPGIKZLICTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO3S/c1-4-8-15(9-5-2)19(16,17)13-10-11(14)6-7-12(13)18-3/h6-7,10H,4-5,8-9H2,1-3H3.
What are the key properties of 5-bromo-2-methoxy-N,N-dipropylbenzenesulfonamide?
5-bromo-2-methoxy-N,N-dipropylbenzenesulfonamide has a molecular weight of 350.28 g/mol, XLogP of 3.27, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N,N-dipropylbenzenesulfonamide is sourced from PubChem (CID 7749525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).