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

C13H18ClFN2O2S — CID 60806432

IUPAC2-chloro-N-ethyl-4-fluoro-N-piperidin-4-ylbenzenesulfonamide
SMILESCCN(C1CCNCC1)S(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C13H18ClFN2O2S/c1-2-17(11-5-7-16-8-6-11)20(18,19)13-4-3-10(15)9-12(13)14/h3-4,9,11,16H,2,5-8H2,1H3
InChIKeyWZEBVUQIFGMQCU-UHFFFAOYSA-N
MW320.82 g/mol
LogP2.24
Rot. Bonds4

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

2-chloro-N-ethyl-4-fluoro-N-piperidin-4-ylbenzenesulfonamide (PubChem CID 60806432) has the molecular formula C13H18ClFN2O2S and a molecular weight of 320.82 g/mol. Its IUPAC name is 2-chloro-N-ethyl-4-fluoro-N-piperidin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-4-fluoro-N-piperidin-4-ylbenzenesulfonamide
PubChem CID60806432
Molecular FormulaC13H18ClFN2O2S
Molecular Weight320.82 g/mol
Exact Mass320.08
IUPAC Name2-chloro-N-ethyl-4-fluoro-N-piperidin-4-ylbenzenesulfonamide
SMILESCCN(C1CCNCC1)S(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C13H18ClFN2O2S/c1-2-17(11-5-7-16-8-6-11)20(18,19)13-4-3-10(15)9-12(13)14/h3-4,9,11,16H,2,5-8H2,1H3
InChIKeyWZEBVUQIFGMQCU-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

2-chloro-N-ethyl-4-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63299481
2-chloro-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 60807123
N-ethyl-2,5-difluoro-N-piperidin-4-ylbenzenesulfonamide
CID 60806262
2-chloro-N-ethyl-4-fluoro-N-(piperidin-4-ylmethyl)benzenesulfonamide
CID 79701650
N-(azetidin-3-yl)-2-chloro-4-fluoro-N-propylbenzenesulfonamide
CID 66215680
N-ethyl-3-fluoro-N-piperidin-4-ylbenzenesulfonamide
CID 60806933
2-bromo-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 119993945
4-(2-chloro-4-fluorophenyl)sulfonylpiperidine
CID 170075092
2-[(2-chloro-4-fluorophenyl)sulfonyl-cyclopentylamino]acetic acid
CID 60829976
2-chloro-4-fluoro-N-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 63644245
N-ethyl-4-fluoro-2-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 60805705
N-ethyl-4-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 60806159

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-4-fluoro-N-piperidin-4-ylbenzenesulfonamide?
The IUPAC name of 2-chloro-N-ethyl-4-fluoro-N-piperidin-4-ylbenzenesulfonamide (CID 60806432) is 2-chloro-N-ethyl-4-fluoro-N-piperidin-4-ylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-ethyl-4-fluoro-N-piperidin-4-ylbenzenesulfonamide?
The canonical SMILES for 2-chloro-N-ethyl-4-fluoro-N-piperidin-4-ylbenzenesulfonamide is CCN(C1CCNCC1)S(=O)(=O)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-N-ethyl-4-fluoro-N-piperidin-4-ylbenzenesulfonamide?
The InChIKey is WZEBVUQIFGMQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2O2S/c1-2-17(11-5-7-16-8-6-11)20(18,19)13-4-3-10(15)9-12(13)14/h3-4,9,11,16H,2,5-8H2,1H3.
What are the key properties of 2-chloro-N-ethyl-4-fluoro-N-piperidin-4-ylbenzenesulfonamide?
2-chloro-N-ethyl-4-fluoro-N-piperidin-4-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 2-chloro-N-ethyl-4-fluoro-N-piperidin-4-ylbenzenesulfonamide is sourced from PubChem (CID 60806432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).