4-chloro-N-ethyl-2-fluoro-N-piperidin-3-ylbenzenesulfonamide

C13H18ClFN2O2S — CID 63636247

IUPAC4-chloro-N-ethyl-2-fluoro-N-piperidin-3-ylbenzenesulfonamide
SMILESCCN(C1CCCNC1)S(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C13H18ClFN2O2S/c1-2-17(11-4-3-7-16-9-11)20(18,19)13-6-5-10(14)8-12(13)15/h5-6,8,11,16H,2-4,7,9H2,1H3
InChIKeyDZTONGBPARPFDX-UHFFFAOYSA-N
MW320.82 g/mol
LogP2.24
Rot. Bonds4

About 4-chloro-N-ethyl-2-fluoro-N-piperidin-3-ylbenzenesulfonamide

4-chloro-N-ethyl-2-fluoro-N-piperidin-3-ylbenzenesulfonamide (PubChem CID 63636247) has the molecular formula C13H18ClFN2O2S and a molecular weight of 320.82 g/mol. Its IUPAC name is 4-chloro-N-ethyl-2-fluoro-N-piperidin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-ethyl-2-fluoro-N-piperidin-3-ylbenzenesulfonamide
PubChem CID63636247
Molecular FormulaC13H18ClFN2O2S
Molecular Weight320.82 g/mol
Exact Mass320.08
IUPAC Name4-chloro-N-ethyl-2-fluoro-N-piperidin-3-ylbenzenesulfonamide
SMILESCCN(C1CCCNC1)S(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C13H18ClFN2O2S/c1-2-17(11-4-3-7-16-9-11)20(18,19)13-6-5-10(14)8-12(13)15/h5-6,8,11,16H,2-4,7,9H2,1H3
InChIKeyDZTONGBPARPFDX-UHFFFAOYSA-N
XLogP2.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-fluoro-2-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 60805705
4-chloro-N-ethyl-2-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63299791
4-bromo-N-ethyl-2-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 116527878
2-chloro-N-ethyl-4-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63299481
4-chloro-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63299171
N-ethyl-2-methoxy-N-piperidin-3-ylbenzenesulfonamide
CID 63637635
N-ethyl-3,4-dimethyl-N-piperidin-3-ylbenzenesulfonamide
CID 60807373
2-[(4-chloro-2-fluorophenyl)sulfonyl-cyclopentylamino]acetic acid
CID 60829623
5-chloro-N-ethyl-2-fluoro-N-piperidin-3-ylbenzamide
CID 63637963
2-chloro-N-ethyl-4-fluoro-N-piperidin-4-ylbenzenesulfonamide
CID 60806432
2-chloro-4-fluoro-N-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 63644245
N-ethyl-4-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 60806159

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-2-fluoro-N-piperidin-3-ylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-ethyl-2-fluoro-N-piperidin-3-ylbenzenesulfonamide (CID 63636247) is 4-chloro-N-ethyl-2-fluoro-N-piperidin-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-ethyl-2-fluoro-N-piperidin-3-ylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-ethyl-2-fluoro-N-piperidin-3-ylbenzenesulfonamide is CCN(C1CCCNC1)S(=O)(=O)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-N-ethyl-2-fluoro-N-piperidin-3-ylbenzenesulfonamide?
The InChIKey is DZTONGBPARPFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2O2S/c1-2-17(11-4-3-7-16-9-11)20(18,19)13-6-5-10(14)8-12(13)15/h5-6,8,11,16H,2-4,7,9H2,1H3.
What are the key properties of 4-chloro-N-ethyl-2-fluoro-N-piperidin-3-ylbenzenesulfonamide?
4-chloro-N-ethyl-2-fluoro-N-piperidin-3-ylbenzenesulfonamide has a molecular weight of 320.82 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-2-fluoro-N-piperidin-3-ylbenzenesulfonamide is sourced from PubChem (CID 63636247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).