4-(2,2-difluoroethoxy)-N-piperidin-3-ylbenzenesulfonamide;hydrochloride

C13H19ClF2N2O3S — CID 120707154

IUPAC4-(2,2-difluoroethoxy)-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(NC1CCCNC1)c1ccc(OCC(F)F)cc1
InChIInChI=1S/C13H18F2N2O3S.ClH/c14-13(15)9-20-11-3-5-12(6-4-11)21(18,19)17-10-2-1-7-16-8-10;/h3-6,10,13,16-17H,1-2,7-9H2;1H
InChIKeyAGPNRXCTNSNQLO-UHFFFAOYSA-N
MW356.82 g/mol
LogP1.78
Rot. Bonds6

About 4-(2,2-difluoroethoxy)-N-piperidin-3-ylbenzenesulfonamide;hydrochloride

4-(2,2-difluoroethoxy)-N-piperidin-3-ylbenzenesulfonamide;hydrochloride (PubChem CID 120707154) has the molecular formula C13H19ClF2N2O3S and a molecular weight of 356.82 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-N-piperidin-3-ylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
PubChem CID120707154
Molecular FormulaC13H19ClF2N2O3S
Molecular Weight356.82 g/mol
Exact Mass356.08
IUPAC Name4-(2,2-difluoroethoxy)-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(NC1CCCNC1)c1ccc(OCC(F)F)cc1
InChIInChI=1S/C13H18F2N2O3S.ClH/c14-13(15)9-20-11-3-5-12(6-4-11)21(18,19)17-10-2-1-7-16-8-10;/h3-6,10,13,16-17H,1-2,7-9H2;1H
InChIKeyAGPNRXCTNSNQLO-UHFFFAOYSA-N
XLogP1.78
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.82
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964408
4-pentoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964352
4-(2-methoxyethoxy)-N-piperidin-3-ylbenzenesulfonamide
CID 63321022
4-(2,2-difluoroethoxy)-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 75477000
4-cyano-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723595
4-chloro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964099
N-[(3S)-piperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120716651
4-cyano-N-[(3R)-piperidin-3-yl]benzenesulfonamide
CID 104645700
4-(2-methylpropyl)-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964495
N-piperidin-3-yl-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride
CID 119964581
N-piperidin-3-yl-4-(trifluoromethyl)benzenesulfonamide
CID 63321069
1-(2,2-difluoroethyl)-N-piperidin-3-ylpyrazole-4-sulfonamide;hydrochloride
CID 120707191

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)-N-piperidin-3-ylbenzenesulfonamide;hydrochloride?
The IUPAC name of 4-(2,2-difluoroethoxy)-N-piperidin-3-ylbenzenesulfonamide;hydrochloride (CID 120707154) is 4-(2,2-difluoroethoxy)-N-piperidin-3-ylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-N-piperidin-3-ylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 4-(2,2-difluoroethoxy)-N-piperidin-3-ylbenzenesulfonamide;hydrochloride is Cl.O=S(=O)(NC1CCCNC1)c1ccc(OCC(F)F)cc1.
What is the InChIKey of 4-(2,2-difluoroethoxy)-N-piperidin-3-ylbenzenesulfonamide;hydrochloride?
The InChIKey is AGPNRXCTNSNQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O3S.ClH/c14-13(15)9-20-11-3-5-12(6-4-11)21(18,19)17-10-2-1-7-16-8-10;/h3-6,10,13,16-17H,1-2,7-9H2;1H.
What are the key properties of 4-(2,2-difluoroethoxy)-N-piperidin-3-ylbenzenesulfonamide;hydrochloride?
4-(2,2-difluoroethoxy)-N-piperidin-3-ylbenzenesulfonamide;hydrochloride has a molecular weight of 356.82 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)-N-piperidin-3-ylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120707154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).