2,6-difluoro-N-methyl-N-piperidin-3-ylbenzenesulfonamide

C12H16F2N2O2S — CID 63642307

IUPAC2,6-difluoro-N-methyl-N-piperidin-3-ylbenzenesulfonamide
SMILESCN(C1CCCNC1)S(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C12H16F2N2O2S/c1-16(9-4-3-7-15-8-9)19(17,18)12-10(13)5-2-6-11(12)14/h2,5-6,9,15H,3-4,7-8H2,1H3
InChIKeyOMQNXNSBJUSILC-UHFFFAOYSA-N
MW290.33 g/mol
LogP1.34
Rot. Bonds3

About 2,6-difluoro-N-methyl-N-piperidin-3-ylbenzenesulfonamide

2,6-difluoro-N-methyl-N-piperidin-3-ylbenzenesulfonamide (PubChem CID 63642307) has the molecular formula C12H16F2N2O2S and a molecular weight of 290.33 g/mol. Its IUPAC name is 2,6-difluoro-N-methyl-N-piperidin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N-methyl-N-piperidin-3-ylbenzenesulfonamide
PubChem CID63642307
Molecular FormulaC12H16F2N2O2S
Molecular Weight290.33 g/mol
Exact Mass290.09
IUPAC Name2,6-difluoro-N-methyl-N-piperidin-3-ylbenzenesulfonamide
SMILESCN(C1CCCNC1)S(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C12H16F2N2O2S/c1-16(9-4-3-7-15-8-9)19(17,18)12-10(13)5-2-6-11(12)14/h2,5-6,9,15H,3-4,7-8H2,1H3
InChIKeyOMQNXNSBJUSILC-UHFFFAOYSA-N
XLogP1.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(azepan-4-yl)-2,6-difluoro-N-methylbenzenesulfonamide
CID 107173137
2,6-difluoro-N-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 106630731
2,4,6-trichloro-N-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 63642660
2,6-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119978751
N-[(2,6-difluorophenyl)methyl]-N-methylpiperidin-3-amine
CID 55248730
2,6-difluoro-N-methyl-N-piperidin-3-ylbenzamide
CID 60806728
N-methyl-N-[(3S)-piperidin-3-yl]thiophene-2-sulfonamide
CID 71641141
4-fluoro-N,2-dimethyl-N-piperidin-3-ylbenzenesulfonamide
CID 54923408
2,6-difluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 5184703
N-methyl-N-[(3R)-piperidin-3-yl]thiophene-2-sulfonamide;hydrochloride
CID 71640930
N,3,5-trimethyl-N-piperidin-3-yl-1H-pyrazole-4-sulfonamide
CID 60807200
2-chloro-4-fluoro-N-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 63644245

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-methyl-N-piperidin-3-ylbenzenesulfonamide?
The IUPAC name of 2,6-difluoro-N-methyl-N-piperidin-3-ylbenzenesulfonamide (CID 63642307) is 2,6-difluoro-N-methyl-N-piperidin-3-ylbenzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-N-methyl-N-piperidin-3-ylbenzenesulfonamide?
The canonical SMILES for 2,6-difluoro-N-methyl-N-piperidin-3-ylbenzenesulfonamide is CN(C1CCCNC1)S(=O)(=O)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-methyl-N-piperidin-3-ylbenzenesulfonamide?
The InChIKey is OMQNXNSBJUSILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2S/c1-16(9-4-3-7-15-8-9)19(17,18)12-10(13)5-2-6-11(12)14/h2,5-6,9,15H,3-4,7-8H2,1H3.
What are the key properties of 2,6-difluoro-N-methyl-N-piperidin-3-ylbenzenesulfonamide?
2,6-difluoro-N-methyl-N-piperidin-3-ylbenzenesulfonamide has a molecular weight of 290.33 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-methyl-N-piperidin-3-ylbenzenesulfonamide is sourced from PubChem (CID 63642307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).