4-fluoro-N,2-dimethyl-N-piperidin-4-ylbenzenesulfonamide

C13H19FN2O2S — CID 43606895

IUPAC4-fluoro-N,2-dimethyl-N-piperidin-4-ylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)N(C)C1CCNCC1
InChIInChI=1S/C13H19FN2O2S/c1-10-9-11(14)3-4-13(10)19(17,18)16(2)12-5-7-15-8-6-12/h3-4,9,12,15H,5-8H2,1-2H3
InChIKeyGDMJBKIBAUYEQE-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.51
Rot. Bonds3

About 4-fluoro-N,2-dimethyl-N-piperidin-4-ylbenzenesulfonamide

4-fluoro-N,2-dimethyl-N-piperidin-4-ylbenzenesulfonamide (PubChem CID 43606895) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is 4-fluoro-N,2-dimethyl-N-piperidin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N,2-dimethyl-N-piperidin-4-ylbenzenesulfonamide
PubChem CID43606895
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC Name4-fluoro-N,2-dimethyl-N-piperidin-4-ylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)N(C)C1CCNCC1
InChIInChI=1S/C13H19FN2O2S/c1-10-9-11(14)3-4-13(10)19(17,18)16(2)12-5-7-15-8-6-12/h3-4,9,12,15H,5-8H2,1-2H3
InChIKeyGDMJBKIBAUYEQE-UHFFFAOYSA-N
XLogP1.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N,2-dimethyl-N-piperidin-3-ylbenzenesulfonamide
CID 54923408
4-fluoro-N,2-dimethyl-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79116751
4-fluoro-N-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 43606910
4-bromo-N,2,5-trimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119965599
N,6-dimethyl-N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide
CID 120999726
N,2-dimethyl-N-piperidin-4-yl-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119965607
2-bromo-4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63297707
4-fluoro-2-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 28810997
3-fluoro-N,2-dimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119965604
2-fluoro-N-methyl-N-piperidin-4-yl-5-(trifluoromethyl)benzenesulfonamide
CID 119966041
N-ethyl-4-fluoro-2-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 60805705
4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 60807173

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N,2-dimethyl-N-piperidin-4-ylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N,2-dimethyl-N-piperidin-4-ylbenzenesulfonamide (CID 43606895) is 4-fluoro-N,2-dimethyl-N-piperidin-4-ylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N,2-dimethyl-N-piperidin-4-ylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N,2-dimethyl-N-piperidin-4-ylbenzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)N(C)C1CCNCC1.
What is the InChIKey of 4-fluoro-N,2-dimethyl-N-piperidin-4-ylbenzenesulfonamide?
The InChIKey is GDMJBKIBAUYEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c1-10-9-11(14)3-4-13(10)19(17,18)16(2)12-5-7-15-8-6-12/h3-4,9,12,15H,5-8H2,1-2H3.
What are the key properties of 4-fluoro-N,2-dimethyl-N-piperidin-4-ylbenzenesulfonamide?
4-fluoro-N,2-dimethyl-N-piperidin-4-ylbenzenesulfonamide has a molecular weight of 286.37 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N,2-dimethyl-N-piperidin-4-ylbenzenesulfonamide is sourced from PubChem (CID 43606895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).