4-fluoro-N,N-bis(4-methoxyphenyl)-1-methylpiperidine-4-sulfonamide;hydrochloride

C20H26ClFN2O4S — CID 126721421

IUPAC4-fluoro-N,N-bis(4-methoxyphenyl)-1-methylpiperidine-4-sulfonamide;hydrochloride
SMILESCOc1ccc(N(c2ccc(OC)cc2)S(=O)(=O)C2(F)CCN(C)CC2)cc1.Cl
InChIInChI=1S/C20H25FN2O4S.ClH/c1-22-14-12-20(21,13-15-22)28(24,25)23(16-4-8-18(26-2)9-5-16)17-6-10-19(27-3)11-7-17;/h4-11H,12-15H2,1-3H3;1H
InChIKeyAIVMDYPBRIQRHL-UHFFFAOYSA-N
MW444.96 g/mol
LogP3.98
Rot. Bonds6

About 4-fluoro-N,N-bis(4-methoxyphenyl)-1-methylpiperidine-4-sulfonamide;hydrochloride

4-fluoro-N,N-bis(4-methoxyphenyl)-1-methylpiperidine-4-sulfonamide;hydrochloride (PubChem CID 126721421) has the molecular formula C20H26ClFN2O4S and a molecular weight of 444.96 g/mol. Its IUPAC name is 4-fluoro-N,N-bis(4-methoxyphenyl)-1-methylpiperidine-4-sulfonamide;hydrochloride.

Molecular Properties

Compound Name4-fluoro-N,N-bis(4-methoxyphenyl)-1-methylpiperidine-4-sulfonamide;hydrochloride
PubChem CID126721421
Molecular FormulaC20H26ClFN2O4S
Molecular Weight444.96 g/mol
Exact Mass444.13
IUPAC Name4-fluoro-N,N-bis(4-methoxyphenyl)-1-methylpiperidine-4-sulfonamide;hydrochloride
SMILESCOc1ccc(N(c2ccc(OC)cc2)S(=O)(=O)C2(F)CCN(C)CC2)cc1.Cl
InChIInChI=1S/C20H25FN2O4S.ClH/c1-22-14-12-20(21,13-15-22)28(24,25)23(16-4-8-18(26-2)9-5-16)17-6-10-19(27-3)11-7-17;/h4-11H,12-15H2,1-3H3;1H
InChIKeyAIVMDYPBRIQRHL-UHFFFAOYSA-N
XLogP3.98
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.96
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N,N-bis(4-methoxyphenyl)-1-methylpiperidine-4-sulfonamide;hydrochloride?
The IUPAC name of 4-fluoro-N,N-bis(4-methoxyphenyl)-1-methylpiperidine-4-sulfonamide;hydrochloride (CID 126721421) is 4-fluoro-N,N-bis(4-methoxyphenyl)-1-methylpiperidine-4-sulfonamide;hydrochloride.
What is the SMILES notation for 4-fluoro-N,N-bis(4-methoxyphenyl)-1-methylpiperidine-4-sulfonamide;hydrochloride?
The canonical SMILES for 4-fluoro-N,N-bis(4-methoxyphenyl)-1-methylpiperidine-4-sulfonamide;hydrochloride is COc1ccc(N(c2ccc(OC)cc2)S(=O)(=O)C2(F)CCN(C)CC2)cc1.Cl.
What is the InChIKey of 4-fluoro-N,N-bis(4-methoxyphenyl)-1-methylpiperidine-4-sulfonamide;hydrochloride?
The InChIKey is AIVMDYPBRIQRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O4S.ClH/c1-22-14-12-20(21,13-15-22)28(24,25)23(16-4-8-18(26-2)9-5-16)17-6-10-19(27-3)11-7-17;/h4-11H,12-15H2,1-3H3;1H.
What are the key properties of 4-fluoro-N,N-bis(4-methoxyphenyl)-1-methylpiperidine-4-sulfonamide;hydrochloride?
4-fluoro-N,N-bis(4-methoxyphenyl)-1-methylpiperidine-4-sulfonamide;hydrochloride has a molecular weight of 444.96 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N,N-bis(4-methoxyphenyl)-1-methylpiperidine-4-sulfonamide;hydrochloride is sourced from PubChem (CID 126721421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).