2-fluoro-3-methyl-N-[2-(methylamino)propyl]benzenesulfonamide

C11H17FN2O2S — CID 120824589

IUPAC2-fluoro-3-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
SMILESCNC(C)CNS(=O)(=O)c1cccc(C)c1F
InChIInChI=1S/C11H17FN2O2S/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
InChIKeyUNEVTEHNQHSQKQ-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.02
Rot. Bonds5

About 2-fluoro-3-methyl-N-[2-(methylamino)propyl]benzenesulfonamide

2-fluoro-3-methyl-N-[2-(methylamino)propyl]benzenesulfonamide (PubChem CID 120824589) has the molecular formula C11H17FN2O2S and a molecular weight of 260.33 g/mol. Its IUPAC name is 2-fluoro-3-methyl-N-[2-(methylamino)propyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-3-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
PubChem CID120824589
Molecular FormulaC11H17FN2O2S
Molecular Weight260.33 g/mol
Exact Mass260.10
IUPAC Name2-fluoro-3-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
SMILESCNC(C)CNS(=O)(=O)c1cccc(C)c1F
InChIInChI=1S/C11H17FN2O2S/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
InChIKeyUNEVTEHNQHSQKQ-UHFFFAOYSA-N
XLogP1.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-3-methyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120825442
2,5-difluoro-4-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120825289
N-[2-(methylamino)propyl]-2-phenylbenzenesulfonamide;hydrochloride
CID 120825515
methyl 2-fluoro-6-[2-(methylamino)propylsulfamoyl]benzoate
CID 120825283
2,4,5-trifluoro-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120825556
5-bromo-4-fluoro-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824901
4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide
CID 103512475
N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-2-fluoro-3-methylbenzenesulfonamide
CID 99858315
N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-2-fluoro-3-methylbenzenesulfonamide
CID 99858314
N-[2-(methylamino)propyl]benzenesulfonamide
CID 103512552
5-bromo-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824478
5-chloro-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120825383

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-N-[2-(methylamino)propyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-3-methyl-N-[2-(methylamino)propyl]benzenesulfonamide (CID 120824589) is 2-fluoro-3-methyl-N-[2-(methylamino)propyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-3-methyl-N-[2-(methylamino)propyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-3-methyl-N-[2-(methylamino)propyl]benzenesulfonamide is CNC(C)CNS(=O)(=O)c1cccc(C)c1F.
What is the InChIKey of 2-fluoro-3-methyl-N-[2-(methylamino)propyl]benzenesulfonamide?
The InChIKey is UNEVTEHNQHSQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O2S/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.
What are the key properties of 2-fluoro-3-methyl-N-[2-(methylamino)propyl]benzenesulfonamide?
2-fluoro-3-methyl-N-[2-(methylamino)propyl]benzenesulfonamide has a molecular weight of 260.33 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-N-[2-(methylamino)propyl]benzenesulfonamide is sourced from PubChem (CID 120824589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).