N-(1-butylpiperidin-4-yl)-1-(3-chloro-4-fluorophenyl)methanesulfonamide

C16H24ClFN2O2S — CID 71846448

IUPACN-(1-butylpiperidin-4-yl)-1-(3-chloro-4-fluorophenyl)methanesulfonamide
SMILESCCCCN1CCC(NS(=O)(=O)Cc2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C16H24ClFN2O2S/c1-2-3-8-20-9-6-14(7-10-20)19-23(21,22)12-13-4-5-16(18)15(17)11-13/h4-5,11,14,19H,2-3,6-10,12H2,1H3
InChIKeyWVMGWIMIYTXAPE-UHFFFAOYSA-N
MW362.90 g/mol
LogP3.16
Rot. Bonds7

About N-(1-butylpiperidin-4-yl)-1-(3-chloro-4-fluorophenyl)methanesulfonamide

N-(1-butylpiperidin-4-yl)-1-(3-chloro-4-fluorophenyl)methanesulfonamide (PubChem CID 71846448) has the molecular formula C16H24ClFN2O2S and a molecular weight of 362.90 g/mol. Its IUPAC name is N-(1-butylpiperidin-4-yl)-1-(3-chloro-4-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-butylpiperidin-4-yl)-1-(3-chloro-4-fluorophenyl)methanesulfonamide
PubChem CID71846448
Molecular FormulaC16H24ClFN2O2S
Molecular Weight362.90 g/mol
Exact Mass362.12
IUPAC NameN-(1-butylpiperidin-4-yl)-1-(3-chloro-4-fluorophenyl)methanesulfonamide
SMILESCCCCN1CCC(NS(=O)(=O)Cc2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C16H24ClFN2O2S/c1-2-3-8-20-9-6-14(7-10-20)19-23(21,22)12-13-4-5-16(18)15(17)11-13/h4-5,11,14,19H,2-3,6-10,12H2,1H3
InChIKeyWVMGWIMIYTXAPE-UHFFFAOYSA-N
XLogP3.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.90
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-butylpiperidin-4-yl)-1-(3-chloro-4-fluorophenyl)methanesulfonamide?
The IUPAC name of N-(1-butylpiperidin-4-yl)-1-(3-chloro-4-fluorophenyl)methanesulfonamide (CID 71846448) is N-(1-butylpiperidin-4-yl)-1-(3-chloro-4-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-(1-butylpiperidin-4-yl)-1-(3-chloro-4-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-(1-butylpiperidin-4-yl)-1-(3-chloro-4-fluorophenyl)methanesulfonamide is CCCCN1CCC(NS(=O)(=O)Cc2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of N-(1-butylpiperidin-4-yl)-1-(3-chloro-4-fluorophenyl)methanesulfonamide?
The InChIKey is WVMGWIMIYTXAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClFN2O2S/c1-2-3-8-20-9-6-14(7-10-20)19-23(21,22)12-13-4-5-16(18)15(17)11-13/h4-5,11,14,19H,2-3,6-10,12H2,1H3.
What are the key properties of N-(1-butylpiperidin-4-yl)-1-(3-chloro-4-fluorophenyl)methanesulfonamide?
N-(1-butylpiperidin-4-yl)-1-(3-chloro-4-fluorophenyl)methanesulfonamide has a molecular weight of 362.90 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butylpiperidin-4-yl)-1-(3-chloro-4-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 71846448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).