4-(2,2-difluoroethoxy)-N-(1-methylpiperidin-4-yl)benzenesulfonamide

C14H20F2N2O3S — CID 75477000

IUPAC4-(2,2-difluoroethoxy)-N-(1-methylpiperidin-4-yl)benzenesulfonamide
SMILESCN1CCC(NS(=O)(=O)c2ccc(OCC(F)F)cc2)CC1
InChIInChI=1S/C14H20F2N2O3S/c1-18-8-6-11(7-9-18)17-22(19,20)13-4-2-12(3-5-13)21-10-14(15)16/h2-5,11,14,17H,6-10H2,1H3
InChIKeyZYUPXQYQONBNKM-UHFFFAOYSA-N
MW334.39 g/mol
LogP1.70
Rot. Bonds6

About 4-(2,2-difluoroethoxy)-N-(1-methylpiperidin-4-yl)benzenesulfonamide

4-(2,2-difluoroethoxy)-N-(1-methylpiperidin-4-yl)benzenesulfonamide (PubChem CID 75477000) has the molecular formula C14H20F2N2O3S and a molecular weight of 334.39 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-N-(1-methylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-N-(1-methylpiperidin-4-yl)benzenesulfonamide
PubChem CID75477000
Molecular FormulaC14H20F2N2O3S
Molecular Weight334.39 g/mol
Exact Mass334.12
IUPAC Name4-(2,2-difluoroethoxy)-N-(1-methylpiperidin-4-yl)benzenesulfonamide
SMILESCN1CCC(NS(=O)(=O)c2ccc(OCC(F)F)cc2)CC1
InChIInChI=1S/C14H20F2N2O3S/c1-18-8-6-11(7-9-18)17-22(19,20)13-4-2-12(3-5-13)21-10-14(15)16/h2-5,11,14,17H,6-10H2,1H3
InChIKeyZYUPXQYQONBNKM-UHFFFAOYSA-N
XLogP1.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methylpiperidin-4-yl)-4-propan-2-yloxybenzenesulfonamide
CID 110736348
4-(2,2-difluoroethoxy)-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 120707154
4-[2-(methylamino)ethoxy]-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 106052280
4-ethoxy-N-(1-ethylpiperidin-4-yl)benzenesulfonamide
CID 22772564
4-ethoxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzenesulfonamide
CID 35402103
N-(2-amino-1-cyclohexylethyl)-4-(2,2-difluoroethoxy)benzenesulfonamide
CID 120710791
4-(2,2-difluoroethoxy)-N-[(3S)-2,2-dimethyl-6-oxopiperidin-3-yl]benzenesulfonamide
CID 164631747
N-(1-methylpiperidin-4-yl)-4-nitrobenzenesulfonamide
CID 22772515
N-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methylbenzenesulfonamide
CID 50823739
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-methylbenzenesulfonamide
CID 17497600
4-methoxy-N-(1-propanoylpiperidin-4-yl)benzenesulfonamide
CID 110819170
4-[(1-methylpiperidin-4-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 78808928

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 4-(2,2-difluoroethoxy)-N-(1-methylpiperidin-4-yl)benzenesulfonamide (CID 75477000) is 4-(2,2-difluoroethoxy)-N-(1-methylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 4-(2,2-difluoroethoxy)-N-(1-methylpiperidin-4-yl)benzenesulfonamide is CN1CCC(NS(=O)(=O)c2ccc(OCC(F)F)cc2)CC1.
What is the InChIKey of 4-(2,2-difluoroethoxy)-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is ZYUPXQYQONBNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O3S/c1-18-8-6-11(7-9-18)17-22(19,20)13-4-2-12(3-5-13)21-10-14(15)16/h2-5,11,14,17H,6-10H2,1H3.
What are the key properties of 4-(2,2-difluoroethoxy)-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
4-(2,2-difluoroethoxy)-N-(1-methylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 334.39 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)-N-(1-methylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 75477000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).