2-chloro-4-fluoro-N-(2-piperidin-1-ylethyl)benzenesulfonamide

C13H18ClFN2O2S — CID 47206367

IUPAC2-chloro-4-fluoro-N-(2-piperidin-1-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCN1CCCCC1)c1ccc(F)cc1Cl
InChIInChI=1S/C13H18ClFN2O2S/c14-12-10-11(15)4-5-13(12)20(18,19)16-6-9-17-7-2-1-3-8-17/h4-5,10,16H,1-3,6-9H2
InChIKeyMPKKBESDPJTAOU-UHFFFAOYSA-N
MW320.82 g/mol
LogP2.24
Rot. Bonds5

About 2-chloro-4-fluoro-N-(2-piperidin-1-ylethyl)benzenesulfonamide

2-chloro-4-fluoro-N-(2-piperidin-1-ylethyl)benzenesulfonamide (PubChem CID 47206367) has the molecular formula C13H18ClFN2O2S and a molecular weight of 320.82 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-(2-piperidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-(2-piperidin-1-ylethyl)benzenesulfonamide
PubChem CID47206367
Molecular FormulaC13H18ClFN2O2S
Molecular Weight320.82 g/mol
Exact Mass320.08
IUPAC Name2-chloro-4-fluoro-N-(2-piperidin-1-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCN1CCCCC1)c1ccc(F)cc1Cl
InChIInChI=1S/C13H18ClFN2O2S/c14-12-10-11(15)4-5-13(12)20(18,19)16-6-9-17-7-2-1-3-8-17/h4-5,10,16H,1-3,6-9H2
InChIKeyMPKKBESDPJTAOU-UHFFFAOYSA-N
XLogP2.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

2-chloro-4-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 119966552
4-chloro-2-fluoro-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 47206353
2-chloro-N-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]ethyl]-4-fluorobenzenesulfonamide
CID 52565640
2-chloro-4-cyano-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 103989092
2-chloro-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 90938157
2,5-dichloro-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 25037231
2-chloro-5-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 115752213
3-fluoro-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 47206339
2-chloro-4-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 3861915
4-chloro-2-nitro-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 4227983
2-chloro-N-ethyl-4-fluorobenzenesulfonamide
CID 18338331
2-chloro-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 47154916

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-(2-piperidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-4-fluoro-N-(2-piperidin-1-ylethyl)benzenesulfonamide (CID 47206367) is 2-chloro-4-fluoro-N-(2-piperidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-(2-piperidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-4-fluoro-N-(2-piperidin-1-ylethyl)benzenesulfonamide is O=S(=O)(NCCN1CCCCC1)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-(2-piperidin-1-ylethyl)benzenesulfonamide?
The InChIKey is MPKKBESDPJTAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2O2S/c14-12-10-11(15)4-5-13(12)20(18,19)16-6-9-17-7-2-1-3-8-17/h4-5,10,16H,1-3,6-9H2.
What are the key properties of 2-chloro-4-fluoro-N-(2-piperidin-1-ylethyl)benzenesulfonamide?
2-chloro-4-fluoro-N-(2-piperidin-1-ylethyl)benzenesulfonamide has a molecular weight of 320.82 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-(2-piperidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 47206367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).