2,4-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride

C10H15Br2ClN2O2S — CID 120824508

IUPAC2,4-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
SMILESCNC(C)CNS(=O)(=O)c1ccc(Br)cc1Br.Cl
InChIInChI=1S/C10H14Br2N2O2S.ClH/c1-7(13-2)6-14-17(15,16)10-4-3-8(11)5-9(10)12;/h3-5,7,13-14H,6H2,1-2H3;1H
InChIKeyQUKPWJACTNBPOB-UHFFFAOYSA-N
MW422.57 g/mol
LogP2.52
Rot. Bonds5

About 2,4-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride

2,4-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride (PubChem CID 120824508) has the molecular formula C10H15Br2ClN2O2S and a molecular weight of 422.57 g/mol. Its IUPAC name is 2,4-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2,4-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
PubChem CID120824508
Molecular FormulaC10H15Br2ClN2O2S
Molecular Weight422.57 g/mol
Exact Mass419.89
IUPAC Name2,4-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
SMILESCNC(C)CNS(=O)(=O)c1ccc(Br)cc1Br.Cl
InChIInChI=1S/C10H14Br2N2O2S.ClH/c1-7(13-2)6-14-17(15,16)10-4-3-8(11)5-9(10)12;/h3-5,7,13-14H,6H2,1-2H3;1H
InChIKeyQUKPWJACTNBPOB-UHFFFAOYSA-N
XLogP2.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824923
2,5-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824924
5-bromo-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824478
5-bromo-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824611
2-bromo-5-chloro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120825163
5-bromo-4-fluoro-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824901
2-bromo-3-methyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120825442
2,4-dibromo-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
CID 103834064
5-bromo-2-methyl-N-[2-(methylamino)propyl]thiophene-3-sulfonamide;hydrochloride
CID 120825128
5-bromo-2-chloro-N-[2-(methylamino)propyl]thiophene-3-sulfonamide;hydrochloride
CID 120824863
2-chloro-4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824623
2,4-dibromo-N-(2-hydroxy-2,4-dimethylpentyl)benzenesulfonamide
CID 66180968

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 2,4-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride (CID 120824508) is 2,4-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 2,4-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 2,4-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride is CNC(C)CNS(=O)(=O)c1ccc(Br)cc1Br.Cl.
What is the InChIKey of 2,4-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride?
The InChIKey is QUKPWJACTNBPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Br2N2O2S.ClH/c1-7(13-2)6-14-17(15,16)10-4-3-8(11)5-9(10)12;/h3-5,7,13-14H,6H2,1-2H3;1H.
What are the key properties of 2,4-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride?
2,4-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride has a molecular weight of 422.57 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120824508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).