4-chloro-3-piperidin-1-ylsulfonylaniline

C11H15ClN2O2S — CID 5016598

IUPAC4-chloro-3-piperidin-1-ylsulfonylaniline
SMILESNc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C11H15ClN2O2S/c12-10-5-4-9(13)8-11(10)17(15,16)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7,13H2
InChIKeyDJKWMDKTRGWWHI-UHFFFAOYSA-N
MW274.77 g/mol
LogP2.10
Rot. Bonds2

About 4-chloro-3-piperidin-1-ylsulfonylaniline

4-chloro-3-piperidin-1-ylsulfonylaniline (PubChem CID 5016598) has the molecular formula C11H15ClN2O2S and a molecular weight of 274.77 g/mol. Its IUPAC name is 4-chloro-3-piperidin-1-ylsulfonylaniline.

Molecular Properties

Compound Name4-chloro-3-piperidin-1-ylsulfonylaniline
PubChem CID5016598
Molecular FormulaC11H15ClN2O2S
Molecular Weight274.77 g/mol
Exact Mass274.05
IUPAC Name4-chloro-3-piperidin-1-ylsulfonylaniline
SMILESNc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C11H15ClN2O2S/c12-10-5-4-9(13)8-11(10)17(15,16)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7,13H2
InChIKeyDJKWMDKTRGWWHI-UHFFFAOYSA-N
XLogP2.10
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-piperidin-1-ylsulfonylaniline?
The IUPAC name of 4-chloro-3-piperidin-1-ylsulfonylaniline (CID 5016598) is 4-chloro-3-piperidin-1-ylsulfonylaniline.
What is the SMILES notation for 4-chloro-3-piperidin-1-ylsulfonylaniline?
The canonical SMILES for 4-chloro-3-piperidin-1-ylsulfonylaniline is Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 4-chloro-3-piperidin-1-ylsulfonylaniline?
The InChIKey is DJKWMDKTRGWWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S/c12-10-5-4-9(13)8-11(10)17(15,16)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7,13H2.
What are the key properties of 4-chloro-3-piperidin-1-ylsulfonylaniline?
4-chloro-3-piperidin-1-ylsulfonylaniline has a molecular weight of 274.77 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-piperidin-1-ylsulfonylaniline is sourced from PubChem (CID 5016598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).