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

C12H17FN2O2S — CID 43107737

IUPAC2-fluoro-5-(2-methylpiperidin-1-yl)sulfonylaniline
SMILESCC1CCCCN1S(=O)(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C12H17FN2O2S/c1-9-4-2-3-7-15(9)18(16,17)10-5-6-11(13)12(14)8-10/h5-6,8-9H,2-4,7,14H2,1H3
InChIKeyWYQMYFWMNVBVMZ-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.97
Rot. Bonds2

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

2-fluoro-5-(2-methylpiperidin-1-yl)sulfonylaniline (PubChem CID 43107737) has the molecular formula C12H17FN2O2S and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-fluoro-5-(2-methylpiperidin-1-yl)sulfonylaniline.

Molecular Properties

Compound Name2-fluoro-5-(2-methylpiperidin-1-yl)sulfonylaniline
PubChem CID43107737
Molecular FormulaC12H17FN2O2S
Molecular Weight272.34 g/mol
Exact Mass272.10
IUPAC Name2-fluoro-5-(2-methylpiperidin-1-yl)sulfonylaniline
SMILESCC1CCCCN1S(=O)(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C12H17FN2O2S/c1-9-4-2-3-7-15(9)18(16,17)10-5-6-11(13)12(14)8-10/h5-6,8-9H,2-4,7,14H2,1H3
InChIKeyWYQMYFWMNVBVMZ-UHFFFAOYSA-N
XLogP1.97
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.97
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-methylpyrrolidin-1-yl)sulfonylaniline
CID 54882062
1-(3,4-difluorophenyl)sulfonyl-2-methylpiperidine
CID 3701058
2-methyl-5-(2-methylpyrrolidin-1-yl)sulfonylaniline
CID 54881931
1-(4-bromo-3-fluorophenyl)sulfonyl-2-methylazepane
CID 113242607
(2S)-1-(4-chlorophenyl)sulfonyl-2-methylpiperidine
CID 668791
1-(2-fluoro-5-methylsulfonylphenyl)sulfonyl-2-methylpiperidine
CID 43454697
4-chloro-2-fluoro-5-(2-methylpiperidin-1-yl)sulfonylaniline
CID 61113392
3-[1-(3-amino-4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
CID 62469324
1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine
CID 60974394
(2S)-2-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
CID 1168281
2-methyl-1-naphthalen-2-ylsulfonylpiperidine
CID 3745150
1-(3,5-dichlorophenyl)sulfonyl-2-methylpiperidine
CID 21364435

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(2-methylpiperidin-1-yl)sulfonylaniline?
The IUPAC name of 2-fluoro-5-(2-methylpiperidin-1-yl)sulfonylaniline (CID 43107737) is 2-fluoro-5-(2-methylpiperidin-1-yl)sulfonylaniline.
What is the SMILES notation for 2-fluoro-5-(2-methylpiperidin-1-yl)sulfonylaniline?
The canonical SMILES for 2-fluoro-5-(2-methylpiperidin-1-yl)sulfonylaniline is CC1CCCCN1S(=O)(=O)c1ccc(F)c(N)c1.
What is the InChIKey of 2-fluoro-5-(2-methylpiperidin-1-yl)sulfonylaniline?
The InChIKey is WYQMYFWMNVBVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2S/c1-9-4-2-3-7-15(9)18(16,17)10-5-6-11(13)12(14)8-10/h5-6,8-9H,2-4,7,14H2,1H3.
What are the key properties of 2-fluoro-5-(2-methylpiperidin-1-yl)sulfonylaniline?
2-fluoro-5-(2-methylpiperidin-1-yl)sulfonylaniline has a molecular weight of 272.34 g/mol, XLogP of 1.97, 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-methylpiperidin-1-yl)sulfonylaniline is sourced from PubChem (CID 43107737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).