3,4-difluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide

C13H18F2N2O2S — CID 60895192

IUPAC3,4-difluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCC1CCCNC1)c1ccc(F)c(F)c1
InChIInChI=1S/C13H18F2N2O2S/c14-12-4-3-11(8-13(12)15)20(18,19)17-7-5-10-2-1-6-16-9-10/h3-4,8,10,16-17H,1-2,5-7,9H2
InChIKeyLKAJOODNNKCVMD-UHFFFAOYSA-N
MW304.36 g/mol
LogP1.63
Rot. Bonds5

About 3,4-difluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide

3,4-difluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide (PubChem CID 60895192) has the molecular formula C13H18F2N2O2S and a molecular weight of 304.36 g/mol. Its IUPAC name is 3,4-difluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide
PubChem CID60895192
Molecular FormulaC13H18F2N2O2S
Molecular Weight304.36 g/mol
Exact Mass304.11
IUPAC Name3,4-difluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCC1CCCNC1)c1ccc(F)c(F)c1
InChIInChI=1S/C13H18F2N2O2S/c14-12-4-3-11(8-13(12)15)20(18,19)17-7-5-10-2-1-6-16-9-10/h3-4,8,10,16-17H,1-2,5-7,9H2
InChIKeyLKAJOODNNKCVMD-UHFFFAOYSA-N
XLogP1.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 60895184
3-bromo-4-fluoro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 119977436
N-(2-piperidin-3-ylethyl)naphthalene-2-sulfonamide
CID 119979389
4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 60895182
N-(2-piperidin-3-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide;hydrochloride
CID 119979394
3-fluoro-4-(methanesulfonamido)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 119977160
4-chloro-N-(2-piperidin-3-ylethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 119979324
3-bromo-4-nitro-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 119979191
3-(dimethylamino)-4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 119979534
N-(2-piperidin-3-ylethyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119979230
4-chloro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119976932
4-bromo-3-fluoro-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968667

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide (CID 60895192) is 3,4-difluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide is O=S(=O)(NCCC1CCCNC1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide?
The InChIKey is LKAJOODNNKCVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2S/c14-12-4-3-11(8-13(12)15)20(18,19)17-7-5-10-2-1-6-16-9-10/h3-4,8,10,16-17H,1-2,5-7,9H2.
What are the key properties of 3,4-difluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide?
3,4-difluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide has a molecular weight of 304.36 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 60895192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).