1-(4-chloro-2-fluorophenyl)sulfonyl-N-methylpiperidin-3-amine

C12H16ClFN2O2S — CID 62534666

IUPAC1-(4-chloro-2-fluorophenyl)sulfonyl-N-methylpiperidin-3-amine
SMILESCNC1CCCN(S(=O)(=O)c2ccc(Cl)cc2F)C1
InChIInChI=1S/C12H16ClFN2O2S/c1-15-10-3-2-6-16(8-10)19(17,18)12-5-4-9(13)7-11(12)14/h4-5,7,10,15H,2-3,6,8H2,1H3
InChIKeyFCGAVTKEVQUOGD-UHFFFAOYSA-N
MW306.79 g/mol
LogP1.85
Rot. Bonds3

About 1-(4-chloro-2-fluorophenyl)sulfonyl-N-methylpiperidin-3-amine

1-(4-chloro-2-fluorophenyl)sulfonyl-N-methylpiperidin-3-amine (PubChem CID 62534666) has the molecular formula C12H16ClFN2O2S and a molecular weight of 306.79 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)sulfonyl-N-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)sulfonyl-N-methylpiperidin-3-amine
PubChem CID62534666
Molecular FormulaC12H16ClFN2O2S
Molecular Weight306.79 g/mol
Exact Mass306.06
IUPAC Name1-(4-chloro-2-fluorophenyl)sulfonyl-N-methylpiperidin-3-amine
SMILESCNC1CCCN(S(=O)(=O)c2ccc(Cl)cc2F)C1
InChIInChI=1S/C12H16ClFN2O2S/c1-15-10-3-2-6-16(8-10)19(17,18)12-5-4-9(13)7-11(12)14/h4-5,7,10,15H,2-3,6,8H2,1H3
InChIKeyFCGAVTKEVQUOGD-UHFFFAOYSA-N
XLogP1.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)sulfonyl-N-methylpiperidin-3-amine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)sulfonyl-N-methylpiperidin-3-amine (CID 62534666) is 1-(4-chloro-2-fluorophenyl)sulfonyl-N-methylpiperidin-3-amine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)sulfonyl-N-methylpiperidin-3-amine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)sulfonyl-N-methylpiperidin-3-amine is CNC1CCCN(S(=O)(=O)c2ccc(Cl)cc2F)C1.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)sulfonyl-N-methylpiperidin-3-amine?
The InChIKey is FCGAVTKEVQUOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O2S/c1-15-10-3-2-6-16(8-10)19(17,18)12-5-4-9(13)7-11(12)14/h4-5,7,10,15H,2-3,6,8H2,1H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)sulfonyl-N-methylpiperidin-3-amine?
1-(4-chloro-2-fluorophenyl)sulfonyl-N-methylpiperidin-3-amine has a molecular weight of 306.79 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)sulfonyl-N-methylpiperidin-3-amine is sourced from PubChem (CID 62534666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).