2,5-difluoro-4-methyl-N-[2-(methylamino)propyl]benzenesulfonamide

C11H16F2N2O2S — CID 120825289

IUPAC2,5-difluoro-4-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
SMILESCNC(C)CNS(=O)(=O)c1cc(F)c(C)cc1F
InChIInChI=1S/C11H16F2N2O2S/c1-7-4-10(13)11(5-9(7)12)18(16,17)15-6-8(2)14-3/h4-5,8,14-15H,6H2,1-3H3
InChIKeyJWELZKLXRJBMLU-UHFFFAOYSA-N
MW278.32 g/mol
LogP1.16
Rot. Bonds5

About 2,5-difluoro-4-methyl-N-[2-(methylamino)propyl]benzenesulfonamide

2,5-difluoro-4-methyl-N-[2-(methylamino)propyl]benzenesulfonamide (PubChem CID 120825289) has the molecular formula C11H16F2N2O2S and a molecular weight of 278.32 g/mol. Its IUPAC name is 2,5-difluoro-4-methyl-N-[2-(methylamino)propyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-4-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
PubChem CID120825289
Molecular FormulaC11H16F2N2O2S
Molecular Weight278.32 g/mol
Exact Mass278.09
IUPAC Name2,5-difluoro-4-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
SMILESCNC(C)CNS(=O)(=O)c1cc(F)c(C)cc1F
InChIInChI=1S/C11H16F2N2O2S/c1-7-4-10(13)11(5-9(7)12)18(16,17)15-6-8(2)14-3/h4-5,8,14-15H,6H2,1-3H3
InChIKeyJWELZKLXRJBMLU-UHFFFAOYSA-N
XLogP1.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,5-trifluoro-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120825556
2-fluoro-4,5-dimethoxy-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824947
5-bromo-4-fluoro-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824901
2-fluoro-3-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824589
5-chloro-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120825383
2-[[(2,5-difluoro-4-methylphenyl)sulfonylamino]methyl]-4-methylpentanoic acid
CID 120660381
2-fluoro-4-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824888
N-[(2R)-2-(ethylamino)propyl]-2,4,5-trifluorobenzenesulfonamide
CID 120664616
2,4,6-trifluoro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120825089
5-bromo-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824478
4-bromo-5-fluoro-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120825030
methyl 3,4-dimethyl-5-[2-(methylamino)propylsulfamoyl]benzoate;hydrochloride
CID 120824543

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-methyl-N-[2-(methylamino)propyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-4-methyl-N-[2-(methylamino)propyl]benzenesulfonamide (CID 120825289) is 2,5-difluoro-4-methyl-N-[2-(methylamino)propyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-4-methyl-N-[2-(methylamino)propyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-4-methyl-N-[2-(methylamino)propyl]benzenesulfonamide is CNC(C)CNS(=O)(=O)c1cc(F)c(C)cc1F.
What is the InChIKey of 2,5-difluoro-4-methyl-N-[2-(methylamino)propyl]benzenesulfonamide?
The InChIKey is JWELZKLXRJBMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O2S/c1-7-4-10(13)11(5-9(7)12)18(16,17)15-6-8(2)14-3/h4-5,8,14-15H,6H2,1-3H3.
What are the key properties of 2,5-difluoro-4-methyl-N-[2-(methylamino)propyl]benzenesulfonamide?
2,5-difluoro-4-methyl-N-[2-(methylamino)propyl]benzenesulfonamide has a molecular weight of 278.32 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-methyl-N-[2-(methylamino)propyl]benzenesulfonamide is sourced from PubChem (CID 120825289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).