2-bromo-3-methyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride

C11H18BrClN2O2S — CID 120825442

IUPAC2-bromo-3-methyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
SMILESCNC(C)CNS(=O)(=O)c1cccc(C)c1Br.Cl
InChIInChI=1S/C11H17BrN2O2S.ClH/c1-8-5-4-6-10(11(8)12)17(15,16)14-7-9(2)13-3;/h4-6,9,13-14H,7H2,1-3H3;1H
InChIKeyYRBFAKCHNODGRW-UHFFFAOYSA-N
MW357.70 g/mol
LogP2.07
Rot. Bonds5

About 2-bromo-3-methyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride

2-bromo-3-methyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride (PubChem CID 120825442) has the molecular formula C11H18BrClN2O2S and a molecular weight of 357.70 g/mol. Its IUPAC name is 2-bromo-3-methyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-bromo-3-methyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
PubChem CID120825442
Molecular FormulaC11H18BrClN2O2S
Molecular Weight357.70 g/mol
Exact Mass356.00
IUPAC Name2-bromo-3-methyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
SMILESCNC(C)CNS(=O)(=O)c1cccc(C)c1Br.Cl
InChIInChI=1S/C11H17BrN2O2S.ClH/c1-8-5-4-6-10(11(8)12)17(15,16)14-7-9(2)13-3;/h4-6,9,13-14H,7H2,1-3H3;1H
InChIKeyYRBFAKCHNODGRW-UHFFFAOYSA-N
XLogP2.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.70
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-3-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824589
5-bromo-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824478
N-(2-amino-2-methylpropyl)-2-bromo-3-methylbenzenesulfonamide;hydrochloride
CID 119988009
5-bromo-4-fluoro-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824901
N-[2-(methylamino)propyl]-2-phenylbenzenesulfonamide;hydrochloride
CID 120825515
2-bromo-N-[2-(ethylamino)ethyl]-3-methylbenzenesulfonamide;hydrochloride
CID 119973473
2,4-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824508
2,5-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824923
N-(4-aminobutyl)-2-bromo-3-methylbenzenesulfonamide;hydrochloride
CID 120583575
5-bromo-2-methyl-N-[2-(methylamino)propyl]thiophene-3-sulfonamide;hydrochloride
CID 120825128
2,5-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824924
2-bromo-5-chloro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120825163

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 2-bromo-3-methyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride (CID 120825442) is 2-bromo-3-methyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 2-bromo-3-methyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 2-bromo-3-methyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride is CNC(C)CNS(=O)(=O)c1cccc(C)c1Br.Cl.
What is the InChIKey of 2-bromo-3-methyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride?
The InChIKey is YRBFAKCHNODGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2S.ClH/c1-8-5-4-6-10(11(8)12)17(15,16)14-7-9(2)13-3;/h4-6,9,13-14H,7H2,1-3H3;1H.
What are the key properties of 2-bromo-3-methyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride?
2-bromo-3-methyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride has a molecular weight of 357.70 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120825442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).