3-bromo-2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride

C12H20BrClN2O2S — CID 120716139

IUPAC3-bromo-2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
SMILESCCCNCCNS(=O)(=O)c1cccc(Br)c1C.Cl
InChIInChI=1S/C12H19BrN2O2S.ClH/c1-3-7-14-8-9-15-18(16,17)12-6-4-5-11(13)10(12)2;/h4-6,14-15H,3,7-9H2,1-2H3;1H
InChIKeyCUCFNXPYWGJOKF-UHFFFAOYSA-N
MW371.73 g/mol
LogP2.46
Rot. Bonds7

About 3-bromo-2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride

3-bromo-2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride (PubChem CID 120716139) has the molecular formula C12H20BrClN2O2S and a molecular weight of 371.73 g/mol. Its IUPAC name is 3-bromo-2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3-bromo-2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
PubChem CID120716139
Molecular FormulaC12H20BrClN2O2S
Molecular Weight371.73 g/mol
Exact Mass370.01
IUPAC Name3-bromo-2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
SMILESCCCNCCNS(=O)(=O)c1cccc(Br)c1C.Cl
InChIInChI=1S/C12H19BrN2O2S.ClH/c1-3-7-14-8-9-15-18(16,17)12-6-4-5-11(13)10(12)2;/h4-6,14-15H,3,7-9H2,1-2H3;1H
InChIKeyCUCFNXPYWGJOKF-UHFFFAOYSA-N
XLogP2.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.73
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716521
2-bromo-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119973933
2,3-dimethyl-N-propylbenzenesulfonamide
CID 67800223
3-bromo-N-[3-(dimethylamino)propyl]-2-methylbenzenesulfonamide
CID 134282662
2-ethyl-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 120716001
N-[2-(ethylamino)ethyl]-3-fluoro-2-methylbenzenesulfonamide;hydrochloride
CID 119973457
2-bromo-N-[2-(ethylamino)ethyl]-3-methylbenzenesulfonamide;hydrochloride
CID 119973473
3-[(3-bromo-2-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 71982237
5-bromo-2-methyl-N-[2-(propylamino)ethyl]thiophene-3-sulfonamide;hydrochloride
CID 120716056
2-bromo-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717320
5-bromo-2-methoxy-4-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120715849
3-chloro-2-cyano-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716507

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 3-bromo-2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride (CID 120716139) is 3-bromo-2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 3-bromo-2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 3-bromo-2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride is CCCNCCNS(=O)(=O)c1cccc(Br)c1C.Cl.
What is the InChIKey of 3-bromo-2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride?
The InChIKey is CUCFNXPYWGJOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O2S.ClH/c1-3-7-14-8-9-15-18(16,17)12-6-4-5-11(13)10(12)2;/h4-6,14-15H,3,7-9H2,1-2H3;1H.
What are the key properties of 3-bromo-2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride?
3-bromo-2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride has a molecular weight of 371.73 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120716139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).