2,5-difluoro-N-(5-methylpiperidin-3-yl)benzenesulfonamide

C12H16F2N2O2S — CID 107585302

IUPAC2,5-difluoro-N-(5-methylpiperidin-3-yl)benzenesulfonamide
SMILESCC1CNCC(NS(=O)(=O)c2cc(F)ccc2F)C1
InChIInChI=1S/C12H16F2N2O2S/c1-8-4-10(7-15-6-8)16-19(17,18)12-5-9(13)2-3-11(12)14/h2-3,5,8,10,15-16H,4,6-7H2,1H3
InChIKeyKEJPQOXVDOOLDC-UHFFFAOYSA-N
MW290.33 g/mol
LogP1.24
Rot. Bonds3

About 2,5-difluoro-N-(5-methylpiperidin-3-yl)benzenesulfonamide

2,5-difluoro-N-(5-methylpiperidin-3-yl)benzenesulfonamide (PubChem CID 107585302) has the molecular formula C12H16F2N2O2S and a molecular weight of 290.33 g/mol. Its IUPAC name is 2,5-difluoro-N-(5-methylpiperidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-(5-methylpiperidin-3-yl)benzenesulfonamide
PubChem CID107585302
Molecular FormulaC12H16F2N2O2S
Molecular Weight290.33 g/mol
Exact Mass290.09
IUPAC Name2,5-difluoro-N-(5-methylpiperidin-3-yl)benzenesulfonamide
SMILESCC1CNCC(NS(=O)(=O)c2cc(F)ccc2F)C1
InChIInChI=1S/C12H16F2N2O2S/c1-8-4-10(7-15-6-8)16-19(17,18)12-5-9(13)2-3-11(12)14/h2-3,5,8,10,15-16H,4,6-7H2,1H3
InChIKeyKEJPQOXVDOOLDC-UHFFFAOYSA-N
XLogP1.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-difluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723761
4-fluoro-2,6-dimethyl-N-(5-methylpiperidin-3-yl)benzenesulfonamide
CID 107585309
2,5-difluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzenesulfonamide
CID 43597247
2,5-difluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725186
N-[4-(ethylamino)cyclohexyl]-2,5-difluorobenzenesulfonamide
CID 43653555
2-bromo-4-fluoro-N-(3-methylcyclobutyl)benzenesulfonamide
CID 115672165
2,4-difluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79684830
2,4-difluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide
CID 104826055
N-(1,1-dioxothiolan-3-yl)-2,5-difluorobenzenesulfonamide
CID 110757609
N-[1-(2-aminoethyl)piperidin-4-yl]-2,5-difluorobenzenesulfonamide
CID 63632016
2,5-difluoro-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzenesulfonamide
CID 52767566
2-fluoro-5-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716722

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-(5-methylpiperidin-3-yl)benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-(5-methylpiperidin-3-yl)benzenesulfonamide (CID 107585302) is 2,5-difluoro-N-(5-methylpiperidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-(5-methylpiperidin-3-yl)benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-(5-methylpiperidin-3-yl)benzenesulfonamide is CC1CNCC(NS(=O)(=O)c2cc(F)ccc2F)C1.
What is the InChIKey of 2,5-difluoro-N-(5-methylpiperidin-3-yl)benzenesulfonamide?
The InChIKey is KEJPQOXVDOOLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2S/c1-8-4-10(7-15-6-8)16-19(17,18)12-5-9(13)2-3-11(12)14/h2-3,5,8,10,15-16H,4,6-7H2,1H3.
What are the key properties of 2,5-difluoro-N-(5-methylpiperidin-3-yl)benzenesulfonamide?
2,5-difluoro-N-(5-methylpiperidin-3-yl)benzenesulfonamide has a molecular weight of 290.33 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-(5-methylpiperidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 107585302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).