N-[4-(3,4-difluorophenyl)piperidin-3-yl]-4-methoxy-2-methylbenzenesulfonamide

C19H22F2N2O3S — CID 120724358

IUPACN-[4-(3,4-difluorophenyl)piperidin-3-yl]-4-methoxy-2-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CNCCC2c2ccc(F)c(F)c2)c(C)c1
InChIInChI=1S/C19H22F2N2O3S/c1-12-9-14(26-2)4-6-19(12)27(24,25)23-18-11-22-8-7-15(18)13-3-5-16(20)17(21)10-13/h3-6,9-10,15,18,22-23H,7-8,11H2,1-2H3
InChIKeyCGXLEPPCZDPXDO-UHFFFAOYSA-N
MW396.46 g/mol
LogP2.71
Rot. Bonds5

About N-[4-(3,4-difluorophenyl)piperidin-3-yl]-4-methoxy-2-methylbenzenesulfonamide

N-[4-(3,4-difluorophenyl)piperidin-3-yl]-4-methoxy-2-methylbenzenesulfonamide (PubChem CID 120724358) 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-methoxy-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(3,4-difluorophenyl)piperidin-3-yl]-4-methoxy-2-methylbenzenesulfonamide
PubChem CID120724358
Molecular FormulaC19H22F2N2O3S
Molecular Weight396.46 g/mol
Exact Mass396.13
IUPAC NameN-[4-(3,4-difluorophenyl)piperidin-3-yl]-4-methoxy-2-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CNCCC2c2ccc(F)c(F)c2)c(C)c1
InChIInChI=1S/C19H22F2N2O3S/c1-12-9-14(26-2)4-6-19(12)27(24,25)23-18-11-22-8-7-15(18)13-3-5-16(20)17(21)10-13/h3-6,9-10,15,18,22-23H,7-8,11H2,1-2H3
InChIKeyCGXLEPPCZDPXDO-UHFFFAOYSA-N
XLogP2.71
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-difluorophenyl)piperidin-3-yl]-4-methoxy-2-methylbenzenesulfonamide?
The IUPAC name of N-[4-(3,4-difluorophenyl)piperidin-3-yl]-4-methoxy-2-methylbenzenesulfonamide (CID 120724358) is N-[4-(3,4-difluorophenyl)piperidin-3-yl]-4-methoxy-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-(3,4-difluorophenyl)piperidin-3-yl]-4-methoxy-2-methylbenzenesulfonamide?
The canonical SMILES for N-[4-(3,4-difluorophenyl)piperidin-3-yl]-4-methoxy-2-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)NC2CNCCC2c2ccc(F)c(F)c2)c(C)c1.
What is the InChIKey of N-[4-(3,4-difluorophenyl)piperidin-3-yl]-4-methoxy-2-methylbenzenesulfonamide?
The InChIKey is CGXLEPPCZDPXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O3S/c1-12-9-14(26-2)4-6-19(12)27(24,25)23-18-11-22-8-7-15(18)13-3-5-16(20)17(21)10-13/h3-6,9-10,15,18,22-23H,7-8,11H2,1-2H3.
What are the key properties of N-[4-(3,4-difluorophenyl)piperidin-3-yl]-4-methoxy-2-methylbenzenesulfonamide?
N-[4-(3,4-difluorophenyl)piperidin-3-yl]-4-methoxy-2-methylbenzenesulfonamide has a molecular weight of 396.46 g/mol, XLogP of 2.71, 5 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-methoxy-2-methylbenzenesulfonamide is sourced from PubChem (CID 120724358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).