1-(2-chloro-6-fluorophenyl)-N-[[3-(4-methylphenyl)pyrazolidin-4-yl]methyl]methanesulfonamide

C18H21ClFN3O2S — CID 75555408

IUPAC1-(2-chloro-6-fluorophenyl)-N-[[3-(4-methylphenyl)pyrazolidin-4-yl]methyl]methanesulfonamide
SMILESCc1ccc(C2NNCC2CNS(=O)(=O)Cc2c(F)cccc2Cl)cc1
InChIInChI=1S/C18H21ClFN3O2S/c1-12-5-7-13(8-6-12)18-14(9-21-23-18)10-22-26(24,25)11-15-16(19)3-2-4-17(15)20/h2-8,14,18,21-23H,9-11H2,1H3
InChIKeyWGJJABMCGNEFFS-UHFFFAOYSA-N
MW397.90 g/mol
LogP2.67
Rot. Bonds6

About 1-(2-chloro-6-fluorophenyl)-N-[[3-(4-methylphenyl)pyrazolidin-4-yl]methyl]methanesulfonamide

1-(2-chloro-6-fluorophenyl)-N-[[3-(4-methylphenyl)pyrazolidin-4-yl]methyl]methanesulfonamide (PubChem CID 75555408) has the molecular formula C18H21ClFN3O2S and a molecular weight of 397.90 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-N-[[3-(4-methylphenyl)pyrazolidin-4-yl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-N-[[3-(4-methylphenyl)pyrazolidin-4-yl]methyl]methanesulfonamide
PubChem CID75555408
Molecular FormulaC18H21ClFN3O2S
Molecular Weight397.90 g/mol
Exact Mass397.10
IUPAC Name1-(2-chloro-6-fluorophenyl)-N-[[3-(4-methylphenyl)pyrazolidin-4-yl]methyl]methanesulfonamide
SMILESCc1ccc(C2NNCC2CNS(=O)(=O)Cc2c(F)cccc2Cl)cc1
InChIInChI=1S/C18H21ClFN3O2S/c1-12-5-7-13(8-6-12)18-14(9-21-23-18)10-22-26(24,25)11-15-16(19)3-2-4-17(15)20/h2-8,14,18,21-23H,9-11H2,1H3
InChIKeyWGJJABMCGNEFFS-UHFFFAOYSA-N
XLogP2.67
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.90
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-[[3-(4-methylphenyl)pyrazolidin-4-yl]methyl]methanesulfonamide?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-[[3-(4-methylphenyl)pyrazolidin-4-yl]methyl]methanesulfonamide (CID 75555408) is 1-(2-chloro-6-fluorophenyl)-N-[[3-(4-methylphenyl)pyrazolidin-4-yl]methyl]methanesulfonamide.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-N-[[3-(4-methylphenyl)pyrazolidin-4-yl]methyl]methanesulfonamide?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-N-[[3-(4-methylphenyl)pyrazolidin-4-yl]methyl]methanesulfonamide is Cc1ccc(C2NNCC2CNS(=O)(=O)Cc2c(F)cccc2Cl)cc1.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-N-[[3-(4-methylphenyl)pyrazolidin-4-yl]methyl]methanesulfonamide?
The InChIKey is WGJJABMCGNEFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFN3O2S/c1-12-5-7-13(8-6-12)18-14(9-21-23-18)10-22-26(24,25)11-15-16(19)3-2-4-17(15)20/h2-8,14,18,21-23H,9-11H2,1H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-N-[[3-(4-methylphenyl)pyrazolidin-4-yl]methyl]methanesulfonamide?
1-(2-chloro-6-fluorophenyl)-N-[[3-(4-methylphenyl)pyrazolidin-4-yl]methyl]methanesulfonamide has a molecular weight of 397.90 g/mol, XLogP of 2.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-N-[[3-(4-methylphenyl)pyrazolidin-4-yl]methyl]methanesulfonamide is sourced from PubChem (CID 75555408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).