4-fluoro-N-methyl-N-piperidin-4-ylbenzenesulfonamide

C12H17FN2O2S — CID 43606910

IUPAC4-fluoro-N-methyl-N-piperidin-4-ylbenzenesulfonamide
SMILESCN(C1CCNCC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H17FN2O2S/c1-15(11-6-8-14-9-7-11)18(16,17)12-4-2-10(13)3-5-12/h2-5,11,14H,6-9H2,1H3
InChIKeyUUCFKUROXIDWPO-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.20
Rot. Bonds3

About 4-fluoro-N-methyl-N-piperidin-4-ylbenzenesulfonamide

4-fluoro-N-methyl-N-piperidin-4-ylbenzenesulfonamide (PubChem CID 43606910) has the molecular formula C12H17FN2O2S and a molecular weight of 272.34 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-piperidin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-piperidin-4-ylbenzenesulfonamide
PubChem CID43606910
Molecular FormulaC12H17FN2O2S
Molecular Weight272.34 g/mol
Exact Mass272.10
IUPAC Name4-fluoro-N-methyl-N-piperidin-4-ylbenzenesulfonamide
SMILESCN(C1CCNCC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H17FN2O2S/c1-15(11-6-8-14-9-7-11)18(16,17)12-4-2-10(13)3-5-12/h2-5,11,14H,6-9H2,1H3
InChIKeyUUCFKUROXIDWPO-UHFFFAOYSA-N
XLogP1.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 60807173
4-chloro-N-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 43606986
N-cyclopropyl-4-fluoro-N-piperidin-4-ylbenzenesulfonamide
CID 68691572
N-(azepan-4-yl)-N,4-dimethylbenzenesulfonamide
CID 107173095
4-bromo-3-fluoro-N-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 103828881
4-fluoro-N,2-dimethyl-N-piperidin-4-ylbenzenesulfonamide
CID 43606895
2-fluoro-5-[methyl(piperidin-4-yl)sulfamoyl]benzoic acid
CID 61403448
methyl 4-[methyl(piperidin-4-yl)sulfamoyl]benzoate;hydrochloride
CID 119965724
4-chloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63298347
N-ethyl-4-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 60806159
3-fluoro-4-(methanesulfonamido)-N-methyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119965840
N-(azepan-4-yl)-4-ethoxy-N-methylbenzenesulfonamide
CID 107173129

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-piperidin-4-ylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-methyl-N-piperidin-4-ylbenzenesulfonamide (CID 43606910) is 4-fluoro-N-methyl-N-piperidin-4-ylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-methyl-N-piperidin-4-ylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-methyl-N-piperidin-4-ylbenzenesulfonamide is CN(C1CCNCC1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-methyl-N-piperidin-4-ylbenzenesulfonamide?
The InChIKey is UUCFKUROXIDWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2S/c1-15(11-6-8-14-9-7-11)18(16,17)12-4-2-10(13)3-5-12/h2-5,11,14H,6-9H2,1H3.
What are the key properties of 4-fluoro-N-methyl-N-piperidin-4-ylbenzenesulfonamide?
4-fluoro-N-methyl-N-piperidin-4-ylbenzenesulfonamide has a molecular weight of 272.34 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-piperidin-4-ylbenzenesulfonamide is sourced from PubChem (CID 43606910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).