5-bromo-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride

C11H18BrClN2O3S — CID 120824611

IUPAC5-bromo-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
SMILESCNC(C)CNS(=O)(=O)c1cc(Br)ccc1OC.Cl
InChIInChI=1S/C11H17BrN2O3S.ClH/c1-8(13-2)7-14-18(15,16)11-6-9(12)4-5-10(11)17-3;/h4-6,8,13-14H,7H2,1-3H3;1H
InChIKeyLEHWPGQPPMHCNK-UHFFFAOYSA-N
MW373.70 g/mol
LogP1.77
Rot. Bonds6

About 5-bromo-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride

5-bromo-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride (PubChem CID 120824611) has the molecular formula C11H18BrClN2O3S and a molecular weight of 373.70 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
PubChem CID120824611
Molecular FormulaC11H18BrClN2O3S
Molecular Weight373.70 g/mol
Exact Mass371.99
IUPAC Name5-bromo-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
SMILESCNC(C)CNS(=O)(=O)c1cc(Br)ccc1OC.Cl
InChIInChI=1S/C11H17BrN2O3S.ClH/c1-8(13-2)7-14-18(15,16)11-6-9(12)4-5-10(11)17-3;/h4-6,8,13-14H,7H2,1-3H3;1H
InChIKeyLEHWPGQPPMHCNK-UHFFFAOYSA-N
XLogP1.77
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.70
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride 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-chloro-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824319
2,5-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824923
2,5-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824924
5-bromo-2-methoxy-N-(3-methoxy-2-methylpropyl)benzenesulfonamide
CID 47429872
5-bromo-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824478
2,4-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824508
5-bromo-N-(3,3-difluoro-2-hydroxypropyl)-2-methoxybenzenesulfonamide
CID 103836787
4-bromo-5-fluoro-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120825030
5-bromo-N-(4-hydroxy-2-methylbutyl)-2-methoxybenzenesulfonamide
CID 66107574
3,4-dimethoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824781
N-(2-amino-2-methylpropyl)-5-bromo-2-methoxybenzenesulfonamide
CID 113282767
5-bromo-2-methoxy-N-[(2S)-pentan-2-yl]benzenesulfonamide
CID 92510421

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 5-bromo-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride (CID 120824611) is 5-bromo-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 5-bromo-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 5-bromo-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride is CNC(C)CNS(=O)(=O)c1cc(Br)ccc1OC.Cl.
What is the InChIKey of 5-bromo-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride?
The InChIKey is LEHWPGQPPMHCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O3S.ClH/c1-8(13-2)7-14-18(15,16)11-6-9(12)4-5-10(11)17-3;/h4-6,8,13-14H,7H2,1-3H3;1H.
What are the key properties of 5-bromo-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride?
5-bromo-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride has a molecular weight of 373.70 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120824611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).