2-chloro-5-fluoro-N-piperidin-4-ylbenzenesulfonamide

C11H14ClFN2O2S — CID 115752112

IUPAC2-chloro-5-fluoro-N-piperidin-4-ylbenzenesulfonamide
SMILESO=S(=O)(NC1CCNCC1)c1cc(F)ccc1Cl
InChIInChI=1S/C11H14ClFN2O2S/c12-10-2-1-8(13)7-11(10)18(16,17)15-9-3-5-14-6-4-9/h1-2,7,9,14-15H,3-6H2
InChIKeyOCKMADGOCCZELS-UHFFFAOYSA-N
MW292.76 g/mol
LogP1.51
Rot. Bonds3

About 2-chloro-5-fluoro-N-piperidin-4-ylbenzenesulfonamide

2-chloro-5-fluoro-N-piperidin-4-ylbenzenesulfonamide (PubChem CID 115752112) has the molecular formula C11H14ClFN2O2S and a molecular weight of 292.76 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-piperidin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-piperidin-4-ylbenzenesulfonamide
PubChem CID115752112
Molecular FormulaC11H14ClFN2O2S
Molecular Weight292.76 g/mol
Exact Mass292.04
IUPAC Name2-chloro-5-fluoro-N-piperidin-4-ylbenzenesulfonamide
SMILESO=S(=O)(NC1CCNCC1)c1cc(F)ccc1Cl
InChIInChI=1S/C11H14ClFN2O2S/c12-10-2-1-8(13)7-11(10)18(16,17)15-9-3-5-14-6-4-9/h1-2,7,9,14-15H,3-6H2
InChIKeyOCKMADGOCCZELS-UHFFFAOYSA-N
XLogP1.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.76
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-chloro-N-piperidin-4-ylbenzenesulfonamide
CID 119960783
4-fluoro-2-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 28810997
2-chloro-N-piperidin-4-ylbenzenesulfonamide
CID 28811083
3-chloro-9-fluoro-11,11-dioxo-N-piperidin-4-yl-5,6-dihydrobenzo[b][1]benzothiepine-2-sulfonamide
CID 69164919
2-chloro-5-methoxy-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960534
2-chloro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960748
2-chloro-5-fluoro-N-(6-oxopiperidin-3-yl)benzenesulfonamide
CID 115630700
2-chloro-N-piperidin-4-yl-5-propylbenzenesulfonamide
CID 120998895
methyl 4-chloro-3-(piperidin-4-ylsulfamoyl)benzoate
CID 43603231
5-bromo-2,4-dichloro-N-piperidin-4-ylbenzenesulfonamide
CID 120706363
3,4-dichloro-N-piperidin-4-ylbenzenesulfonamide
CID 28810999
2,4-difluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79684830

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-piperidin-4-ylbenzenesulfonamide?
The IUPAC name of 2-chloro-5-fluoro-N-piperidin-4-ylbenzenesulfonamide (CID 115752112) is 2-chloro-5-fluoro-N-piperidin-4-ylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-5-fluoro-N-piperidin-4-ylbenzenesulfonamide?
The canonical SMILES for 2-chloro-5-fluoro-N-piperidin-4-ylbenzenesulfonamide is O=S(=O)(NC1CCNCC1)c1cc(F)ccc1Cl.
What is the InChIKey of 2-chloro-5-fluoro-N-piperidin-4-ylbenzenesulfonamide?
The InChIKey is OCKMADGOCCZELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O2S/c12-10-2-1-8(13)7-11(10)18(16,17)15-9-3-5-14-6-4-9/h1-2,7,9,14-15H,3-6H2.
What are the key properties of 2-chloro-5-fluoro-N-piperidin-4-ylbenzenesulfonamide?
2-chloro-5-fluoro-N-piperidin-4-ylbenzenesulfonamide has a molecular weight of 292.76 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-piperidin-4-ylbenzenesulfonamide is sourced from PubChem (CID 115752112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).