5-bromo-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide

C11H17BrN2O2S — CID 120824478

IUPAC5-bromo-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
SMILESCNC(C)CNS(=O)(=O)c1cc(Br)ccc1C
InChIInChI=1S/C11H17BrN2O2S/c1-8-4-5-10(12)6-11(8)17(15,16)14-7-9(2)13-3/h4-6,9,13-14H,7H2,1-3H3
InChIKeyVWNCWUMDYQNDRL-UHFFFAOYSA-N
MW321.24 g/mol
LogP1.64
Rot. Bonds5

About 5-bromo-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide

5-bromo-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide (PubChem CID 120824478) has the molecular formula C11H17BrN2O2S and a molecular weight of 321.24 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
PubChem CID120824478
Molecular FormulaC11H17BrN2O2S
Molecular Weight321.24 g/mol
Exact Mass320.02
IUPAC Name5-bromo-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
SMILESCNC(C)CNS(=O)(=O)c1cc(Br)ccc1C
InChIInChI=1S/C11H17BrN2O2S/c1-8-4-5-10(12)6-11(8)17(15,16)14-7-9(2)13-3/h4-6,9,13-14H,7H2,1-3H3
InChIKeyVWNCWUMDYQNDRL-UHFFFAOYSA-N
XLogP1.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.24
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 8777819
2,5-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824924
2,5-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824923
5-bromo-N-[(2R)-2-(ethylamino)propyl]-2-methylbenzenesulfonamide;hydrochloride
CID 120665143
5-bromo-N-[(2S)-2-hydroxypropyl]-2-methylbenzenesulfonamide
CID 83029794
5-bromo-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 83147355
5-chloro-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120825383
2,4-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824508
5-bromo-N-(2-methoxypropyl)-2-methylbenzenesulfonamide
CID 102697631
5-bromo-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824611
5-bromo-N-(2-cyclopropylpropyl)-2-methylbenzenesulfonamide
CID 113226818
5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62658357

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide?
The IUPAC name of 5-bromo-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide (CID 120824478) is 5-bromo-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide?
The canonical SMILES for 5-bromo-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide is CNC(C)CNS(=O)(=O)c1cc(Br)ccc1C.
What is the InChIKey of 5-bromo-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide?
The InChIKey is VWNCWUMDYQNDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2S/c1-8-4-5-10(12)6-11(8)17(15,16)14-7-9(2)13-3/h4-6,9,13-14H,7H2,1-3H3.
What are the key properties of 5-bromo-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide?
5-bromo-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide has a molecular weight of 321.24 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide is sourced from PubChem (CID 120824478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).