N-[4-(3,4-difluorophenyl)piperidin-3-yl]-4-ethoxybenzenesulfonamide

C19H22F2N2O3S — CID 120724398

IUPACN-[4-(3,4-difluorophenyl)piperidin-3-yl]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC2CNCCC2c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C19H22F2N2O3S/c1-2-26-14-4-6-15(7-5-14)27(24,25)23-19-12-22-10-9-16(19)13-3-8-17(20)18(21)11-13/h3-8,11,16,19,22-23H,2,9-10,12H2,1H3
InChIKeyUVCPSEDNPQXSDB-UHFFFAOYSA-N
MW396.46 g/mol
LogP2.79
Rot. Bonds6

About N-[4-(3,4-difluorophenyl)piperidin-3-yl]-4-ethoxybenzenesulfonamide

N-[4-(3,4-difluorophenyl)piperidin-3-yl]-4-ethoxybenzenesulfonamide (PubChem CID 120724398) has the molecular formula C19H22F2N2O3S and a molecular weight of 396.46 g/mol. Its IUPAC name is N-[4-(3,4-difluorophenyl)piperidin-3-yl]-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(3,4-difluorophenyl)piperidin-3-yl]-4-ethoxybenzenesulfonamide
PubChem CID120724398
Molecular FormulaC19H22F2N2O3S
Molecular Weight396.46 g/mol
Exact Mass396.13
IUPAC NameN-[4-(3,4-difluorophenyl)piperidin-3-yl]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC2CNCCC2c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C19H22F2N2O3S/c1-2-26-14-4-6-15(7-5-14)27(24,25)23-19-12-22-10-9-16(19)13-3-8-17(20)18(21)11-13/h3-8,11,16,19,22-23H,2,9-10,12H2,1H3
InChIKeyUVCPSEDNPQXSDB-UHFFFAOYSA-N
XLogP2.79
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]-4-nitrobenzenesulfonamide
CID 178191044
N-[(3S,4R)-4-(3,4-difluorophenyl)piperidin-3-yl]-4-nitrobenzenesulfonamide
CID 165494148
N-[4-(3,4-difluorophenyl)piperidin-3-yl]-4-methoxy-2-methylbenzenesulfonamide
CID 120724358
N-[4-(3,4-difluorophenyl)piperidin-3-yl]-3-fluorobenzenesulfonamide;hydrochloride
CID 120724371
N-[4-(3,4-difluorophenyl)piperidin-3-yl]propane-1-sulfonamide;hydrochloride
CID 120724421
N-[4-(3,4-difluorophenyl)piperidin-3-yl]-2-fluorobenzenesulfonamide;hydrochloride
CID 120724373
N-[4-(3,4-difluorophenyl)piperidin-3-yl]-2-methylsulfonylethanesulfonamide;hydrochloride
CID 120724389
N-[4-(3,4-difluorophenyl)piperidin-3-yl]-1-(3-methoxyphenyl)methanesulfonamide
CID 120724404
N-[4-(3,4-difluorophenyl)piperidin-3-yl]-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride
CID 120724417
N-[(3R,4S)-4-(3-fluorophenyl)piperidin-3-yl]-4-nitrobenzenesulfonamide
CID 178194828
N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-ethoxybenzenesulfonamide
CID 43597428
3-(4-ethoxyphenyl)sulfonylpyrrolidine
CID 82299275

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-difluorophenyl)piperidin-3-yl]-4-ethoxybenzenesulfonamide?
The IUPAC name of N-[4-(3,4-difluorophenyl)piperidin-3-yl]-4-ethoxybenzenesulfonamide (CID 120724398) is N-[4-(3,4-difluorophenyl)piperidin-3-yl]-4-ethoxybenzenesulfonamide.
What is the SMILES notation for N-[4-(3,4-difluorophenyl)piperidin-3-yl]-4-ethoxybenzenesulfonamide?
The canonical SMILES for N-[4-(3,4-difluorophenyl)piperidin-3-yl]-4-ethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)NC2CNCCC2c2ccc(F)c(F)c2)cc1.
What is the InChIKey of N-[4-(3,4-difluorophenyl)piperidin-3-yl]-4-ethoxybenzenesulfonamide?
The InChIKey is UVCPSEDNPQXSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O3S/c1-2-26-14-4-6-15(7-5-14)27(24,25)23-19-12-22-10-9-16(19)13-3-8-17(20)18(21)11-13/h3-8,11,16,19,22-23H,2,9-10,12H2,1H3.
What are the key properties of N-[4-(3,4-difluorophenyl)piperidin-3-yl]-4-ethoxybenzenesulfonamide?
N-[4-(3,4-difluorophenyl)piperidin-3-yl]-4-ethoxybenzenesulfonamide has a molecular weight of 396.46 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-difluorophenyl)piperidin-3-yl]-4-ethoxybenzenesulfonamide is sourced from PubChem (CID 120724398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).