2-fluoro-5-(2-methylpyrrolidin-1-yl)sulfonylaniline

C11H15FN2O2S — CID 54882062

IUPAC2-fluoro-5-(2-methylpyrrolidin-1-yl)sulfonylaniline
SMILESCC1CCCN1S(=O)(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C11H15FN2O2S/c1-8-3-2-6-14(8)17(15,16)9-4-5-10(12)11(13)7-9/h4-5,7-8H,2-3,6,13H2,1H3
InChIKeyCKOAJVWSGGORIW-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.58
Rot. Bonds2

About 2-fluoro-5-(2-methylpyrrolidin-1-yl)sulfonylaniline

2-fluoro-5-(2-methylpyrrolidin-1-yl)sulfonylaniline (PubChem CID 54882062) has the molecular formula C11H15FN2O2S and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-fluoro-5-(2-methylpyrrolidin-1-yl)sulfonylaniline.

Molecular Properties

Compound Name2-fluoro-5-(2-methylpyrrolidin-1-yl)sulfonylaniline
PubChem CID54882062
Molecular FormulaC11H15FN2O2S
Molecular Weight258.32 g/mol
Exact Mass258.08
IUPAC Name2-fluoro-5-(2-methylpyrrolidin-1-yl)sulfonylaniline
SMILESCC1CCCN1S(=O)(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C11H15FN2O2S/c1-8-3-2-6-14(8)17(15,16)9-4-5-10(12)11(13)7-9/h4-5,7-8H,2-3,6,13H2,1H3
InChIKeyCKOAJVWSGGORIW-UHFFFAOYSA-N
XLogP1.58
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-5-(2-methylpiperidin-1-yl)sulfonylaniline
CID 43107737
2-methyl-5-(2-methylpyrrolidin-1-yl)sulfonylaniline
CID 54881931
1-(3,4-difluorophenyl)sulfonyl-2-methylpiperidine
CID 3701058
1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine
CID 60974394
3-[1-(3-amino-4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
CID 62469324
3-[(2S)-2-methylpyrrolidin-1-yl]sulfonylaniline
CID 93391248
3-(2-methylpyrrolidin-1-yl)sulfonylaniline
CID 60973434
1-(4-bromo-3-fluorophenyl)sulfonyl-2-methylazepane
CID 113242607
5-(3,4-dimethylpiperazin-1-yl)sulfonyl-2-fluoroaniline
CID 55215595
(2S)-1-(4-chlorophenyl)sulfonyl-2-methylpiperidine
CID 668791
2-fluoro-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline
CID 114591895
6-(2-methylpyrrolidin-1-yl)sulfonylquinolin-2-amine
CID 62162789

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(2-methylpyrrolidin-1-yl)sulfonylaniline?
The IUPAC name of 2-fluoro-5-(2-methylpyrrolidin-1-yl)sulfonylaniline (CID 54882062) is 2-fluoro-5-(2-methylpyrrolidin-1-yl)sulfonylaniline.
What is the SMILES notation for 2-fluoro-5-(2-methylpyrrolidin-1-yl)sulfonylaniline?
The canonical SMILES for 2-fluoro-5-(2-methylpyrrolidin-1-yl)sulfonylaniline is CC1CCCN1S(=O)(=O)c1ccc(F)c(N)c1.
What is the InChIKey of 2-fluoro-5-(2-methylpyrrolidin-1-yl)sulfonylaniline?
The InChIKey is CKOAJVWSGGORIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2S/c1-8-3-2-6-14(8)17(15,16)9-4-5-10(12)11(13)7-9/h4-5,7-8H,2-3,6,13H2,1H3.
What are the key properties of 2-fluoro-5-(2-methylpyrrolidin-1-yl)sulfonylaniline?
2-fluoro-5-(2-methylpyrrolidin-1-yl)sulfonylaniline has a molecular weight of 258.32 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(2-methylpyrrolidin-1-yl)sulfonylaniline is sourced from PubChem (CID 54882062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).