N-[[2-(3-chlorophenyl)-6-fluorophenyl]methyl]-N-(piperidin-4-ylmethyl)methanesulfonamide

C20H24ClFN2O2S — CID 46891019

IUPACN-[[2-(3-chlorophenyl)-6-fluorophenyl]methyl]-N-(piperidin-4-ylmethyl)methanesulfonamide
SMILESCS(=O)(=O)N(Cc1c(F)cccc1-c1cccc(Cl)c1)CC1CCNCC1
InChIInChI=1S/C20H24ClFN2O2S/c1-27(25,26)24(13-15-8-10-23-11-9-15)14-19-18(6-3-7-20(19)22)16-4-2-5-17(21)12-16/h2-7,12,15,23H,8-11,13-14H2,1H3
InChIKeySSLQXNFBHFVQQV-UHFFFAOYSA-N
MW410.94 g/mol
LogP3.91
Rot. Bonds6

About N-[[2-(3-chlorophenyl)-6-fluorophenyl]methyl]-N-(piperidin-4-ylmethyl)methanesulfonamide

N-[[2-(3-chlorophenyl)-6-fluorophenyl]methyl]-N-(piperidin-4-ylmethyl)methanesulfonamide (PubChem CID 46891019) has the molecular formula C20H24ClFN2O2S and a molecular weight of 410.94 g/mol. Its IUPAC name is N-[[2-(3-chlorophenyl)-6-fluorophenyl]methyl]-N-(piperidin-4-ylmethyl)methanesulfonamide.

Molecular Properties

Compound NameN-[[2-(3-chlorophenyl)-6-fluorophenyl]methyl]-N-(piperidin-4-ylmethyl)methanesulfonamide
PubChem CID46891019
Molecular FormulaC20H24ClFN2O2S
Molecular Weight410.94 g/mol
Exact Mass410.12
IUPAC NameN-[[2-(3-chlorophenyl)-6-fluorophenyl]methyl]-N-(piperidin-4-ylmethyl)methanesulfonamide
SMILESCS(=O)(=O)N(Cc1c(F)cccc1-c1cccc(Cl)c1)CC1CCNCC1
InChIInChI=1S/C20H24ClFN2O2S/c1-27(25,26)24(13-15-8-10-23-11-9-15)14-19-18(6-3-7-20(19)22)16-4-2-5-17(21)12-16/h2-7,12,15,23H,8-11,13-14H2,1H3
InChIKeySSLQXNFBHFVQQV-UHFFFAOYSA-N
XLogP3.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.94
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-chlorophenyl)-6-fluorophenyl]methyl]-N-(piperidin-4-ylmethyl)methanesulfonamide?
The IUPAC name of N-[[2-(3-chlorophenyl)-6-fluorophenyl]methyl]-N-(piperidin-4-ylmethyl)methanesulfonamide (CID 46891019) is N-[[2-(3-chlorophenyl)-6-fluorophenyl]methyl]-N-(piperidin-4-ylmethyl)methanesulfonamide.
What is the SMILES notation for N-[[2-(3-chlorophenyl)-6-fluorophenyl]methyl]-N-(piperidin-4-ylmethyl)methanesulfonamide?
The canonical SMILES for N-[[2-(3-chlorophenyl)-6-fluorophenyl]methyl]-N-(piperidin-4-ylmethyl)methanesulfonamide is CS(=O)(=O)N(Cc1c(F)cccc1-c1cccc(Cl)c1)CC1CCNCC1.
What is the InChIKey of N-[[2-(3-chlorophenyl)-6-fluorophenyl]methyl]-N-(piperidin-4-ylmethyl)methanesulfonamide?
The InChIKey is SSLQXNFBHFVQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClFN2O2S/c1-27(25,26)24(13-15-8-10-23-11-9-15)14-19-18(6-3-7-20(19)22)16-4-2-5-17(21)12-16/h2-7,12,15,23H,8-11,13-14H2,1H3.
What are the key properties of N-[[2-(3-chlorophenyl)-6-fluorophenyl]methyl]-N-(piperidin-4-ylmethyl)methanesulfonamide?
N-[[2-(3-chlorophenyl)-6-fluorophenyl]methyl]-N-(piperidin-4-ylmethyl)methanesulfonamide has a molecular weight of 410.94 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-chlorophenyl)-6-fluorophenyl]methyl]-N-(piperidin-4-ylmethyl)methanesulfonamide is sourced from PubChem (CID 46891019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).