N-[4-(3,4-difluorophenyl)piperidin-3-yl]-1-(3-methoxyphenyl)methanesulfonamide

C19H22F2N2O3S — CID 120724404

IUPACN-[4-(3,4-difluorophenyl)piperidin-3-yl]-1-(3-methoxyphenyl)methanesulfonamide
SMILESCOc1cccc(CS(=O)(=O)NC2CNCCC2c2ccc(F)c(F)c2)c1
InChIInChI=1S/C19H22F2N2O3S/c1-26-15-4-2-3-13(9-15)12-27(24,25)23-19-11-22-8-7-16(19)14-5-6-17(20)18(21)10-14/h2-6,9-10,16,19,22-23H,7-8,11-12H2,1H3
InChIKeyQXPAFGCJUWCSRH-UHFFFAOYSA-N
MW396.46 g/mol
LogP2.54
Rot. Bonds6

About N-[4-(3,4-difluorophenyl)piperidin-3-yl]-1-(3-methoxyphenyl)methanesulfonamide

N-[4-(3,4-difluorophenyl)piperidin-3-yl]-1-(3-methoxyphenyl)methanesulfonamide (PubChem CID 120724404) 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]-1-(3-methoxyphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[4-(3,4-difluorophenyl)piperidin-3-yl]-1-(3-methoxyphenyl)methanesulfonamide
PubChem CID120724404
Molecular FormulaC19H22F2N2O3S
Molecular Weight396.46 g/mol
Exact Mass396.13
IUPAC NameN-[4-(3,4-difluorophenyl)piperidin-3-yl]-1-(3-methoxyphenyl)methanesulfonamide
SMILESCOc1cccc(CS(=O)(=O)NC2CNCCC2c2ccc(F)c(F)c2)c1
InChIInChI=1S/C19H22F2N2O3S/c1-26-15-4-2-3-13(9-15)12-27(24,25)23-19-11-22-8-7-16(19)14-5-6-17(20)18(21)10-14/h2-6,9-10,16,19,22-23H,7-8,11-12H2,1H3
InChIKeyQXPAFGCJUWCSRH-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3,4-difluorophenyl)piperidin-3-yl]propane-1-sulfonamide;hydrochloride
CID 120724421
N-[4-(3,4-difluorophenyl)piperidin-3-yl]-4-methoxy-2-methylbenzenesulfonamide
CID 120724358
N-[4-(3,4-difluorophenyl)piperidin-3-yl]-2-methylsulfonylethanesulfonamide;hydrochloride
CID 120724389
N-[4-(3,4-difluorophenyl)piperidin-3-yl]-4-ethoxybenzenesulfonamide
CID 120724398
N-[4-(3,4-difluorophenyl)piperidin-3-yl]-3-fluorobenzenesulfonamide;hydrochloride
CID 120724371
N-[4-(3,4-difluorophenyl)piperidin-3-yl]-2-fluorobenzenesulfonamide;hydrochloride
CID 120724373
1-(3-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide
CID 119978714
N-[4-(3,4-difluorophenyl)piperidin-3-yl]-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride
CID 120724417
1-(3-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride
CID 119978713
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
3-[(3-methoxyphenyl)methyl]piperidin-4-amine
CID 84787596

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-difluorophenyl)piperidin-3-yl]-1-(3-methoxyphenyl)methanesulfonamide?
The IUPAC name of N-[4-(3,4-difluorophenyl)piperidin-3-yl]-1-(3-methoxyphenyl)methanesulfonamide (CID 120724404) is N-[4-(3,4-difluorophenyl)piperidin-3-yl]-1-(3-methoxyphenyl)methanesulfonamide.
What is the SMILES notation for N-[4-(3,4-difluorophenyl)piperidin-3-yl]-1-(3-methoxyphenyl)methanesulfonamide?
The canonical SMILES for N-[4-(3,4-difluorophenyl)piperidin-3-yl]-1-(3-methoxyphenyl)methanesulfonamide is COc1cccc(CS(=O)(=O)NC2CNCCC2c2ccc(F)c(F)c2)c1.
What is the InChIKey of N-[4-(3,4-difluorophenyl)piperidin-3-yl]-1-(3-methoxyphenyl)methanesulfonamide?
The InChIKey is QXPAFGCJUWCSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O3S/c1-26-15-4-2-3-13(9-15)12-27(24,25)23-19-11-22-8-7-16(19)14-5-6-17(20)18(21)10-14/h2-6,9-10,16,19,22-23H,7-8,11-12H2,1H3.
What are the key properties of N-[4-(3,4-difluorophenyl)piperidin-3-yl]-1-(3-methoxyphenyl)methanesulfonamide?
N-[4-(3,4-difluorophenyl)piperidin-3-yl]-1-(3-methoxyphenyl)methanesulfonamide has a molecular weight of 396.46 g/mol, XLogP of 2.54, 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]-1-(3-methoxyphenyl)methanesulfonamide is sourced from PubChem (CID 120724404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).