2-bromo-4-fluoro-5-piperidin-1-ylsulfonylaniline

C11H14BrFN2O2S — CID 116529299

IUPAC2-bromo-4-fluoro-5-piperidin-1-ylsulfonylaniline
SMILESNc1cc(S(=O)(=O)N2CCCCC2)c(F)cc1Br
InChIInChI=1S/C11H14BrFN2O2S/c12-8-6-9(13)11(7-10(8)14)18(16,17)15-4-2-1-3-5-15/h6-7H,1-5,14H2
InChIKeySDPVMRVJTRODMW-UHFFFAOYSA-N
MW337.21 g/mol
LogP2.35
Rot. Bonds2

About 2-bromo-4-fluoro-5-piperidin-1-ylsulfonylaniline

2-bromo-4-fluoro-5-piperidin-1-ylsulfonylaniline (PubChem CID 116529299) has the molecular formula C11H14BrFN2O2S and a molecular weight of 337.21 g/mol. Its IUPAC name is 2-bromo-4-fluoro-5-piperidin-1-ylsulfonylaniline.

Molecular Properties

Compound Name2-bromo-4-fluoro-5-piperidin-1-ylsulfonylaniline
PubChem CID116529299
Molecular FormulaC11H14BrFN2O2S
Molecular Weight337.21 g/mol
Exact Mass335.99
IUPAC Name2-bromo-4-fluoro-5-piperidin-1-ylsulfonylaniline
SMILESNc1cc(S(=O)(=O)N2CCCCC2)c(F)cc1Br
InChIInChI=1S/C11H14BrFN2O2S/c12-8-6-9(13)11(7-10(8)14)18(16,17)15-4-2-1-3-5-15/h6-7H,1-5,14H2
InChIKeySDPVMRVJTRODMW-UHFFFAOYSA-N
XLogP2.35
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 52.35
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-bromo-5-(4-ethylazepan-1-yl)sulfonyl-4-fluoroaniline
CID 116530384
2-bromo-5-(3,3-dimethylpiperidin-1-yl)sulfonyl-4-fluoroaniline
CID 116530376
2-bromo-4-fluoro-5-(4-methoxypiperidin-1-yl)sulfonylaniline
CID 116529643
2-bromo-4-fluoro-5-(3-methoxypiperidin-1-yl)sulfonylaniline
CID 102955323
1-(5-amino-4-bromo-2-fluorophenyl)sulfonyl-N,N-dimethylpiperidin-3-amine
CID 116530450
2-bromo-5-(1,3-dihydroisoindol-2-ylsulfonyl)-4-fluoroaniline
CID 116530273
2-bromo-5-(2,2-dimethylthiomorpholin-4-yl)sulfonyl-4-fluoroaniline
CID 116530684
4-chloro-2-fluoro-5-pyrrolidin-1-ylsulfonylaniline
CID 61112827
2-bromo-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)-4-fluoroaniline
CID 116530404
2-bromo-4-fluoro-5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]aniline
CID 114407877
4-(5-amino-4-bromo-2-fluorophenyl)sulfonylmorpholine-2-carbonitrile
CID 116530479
2-bromo-5-(2,3-dihydroindol-1-ylsulfonyl)-4-fluoroaniline
CID 116529391

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-5-piperidin-1-ylsulfonylaniline?
The IUPAC name of 2-bromo-4-fluoro-5-piperidin-1-ylsulfonylaniline (CID 116529299) is 2-bromo-4-fluoro-5-piperidin-1-ylsulfonylaniline.
What is the SMILES notation for 2-bromo-4-fluoro-5-piperidin-1-ylsulfonylaniline?
The canonical SMILES for 2-bromo-4-fluoro-5-piperidin-1-ylsulfonylaniline is Nc1cc(S(=O)(=O)N2CCCCC2)c(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-5-piperidin-1-ylsulfonylaniline?
The InChIKey is SDPVMRVJTRODMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O2S/c12-8-6-9(13)11(7-10(8)14)18(16,17)15-4-2-1-3-5-15/h6-7H,1-5,14H2.
What are the key properties of 2-bromo-4-fluoro-5-piperidin-1-ylsulfonylaniline?
2-bromo-4-fluoro-5-piperidin-1-ylsulfonylaniline has a molecular weight of 337.21 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-5-piperidin-1-ylsulfonylaniline is sourced from PubChem (CID 116529299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).