1-(4-chloro-3-fluorophenyl)-N-[(1-cyclopentylpyrazol-3-yl)methyl]methanesulfonamide

C16H19ClFN3O2S — CID 99828947

IUPAC1-(4-chloro-3-fluorophenyl)-N-[(1-cyclopentylpyrazol-3-yl)methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)c(F)c1)NCc1ccn(C2CCCC2)n1
InChIInChI=1S/C16H19ClFN3O2S/c17-15-6-5-12(9-16(15)18)11-24(22,23)19-10-13-7-8-21(20-13)14-3-1-2-4-14/h5-9,14,19H,1-4,10-11H2
InChIKeyJVICJXQIRYFHDP-UHFFFAOYSA-N
MW371.87 g/mol
LogP3.41
Rot. Bonds6

About 1-(4-chloro-3-fluorophenyl)-N-[(1-cyclopentylpyrazol-3-yl)methyl]methanesulfonamide

1-(4-chloro-3-fluorophenyl)-N-[(1-cyclopentylpyrazol-3-yl)methyl]methanesulfonamide (PubChem CID 99828947) has the molecular formula C16H19ClFN3O2S and a molecular weight of 371.87 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-N-[(1-cyclopentylpyrazol-3-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-N-[(1-cyclopentylpyrazol-3-yl)methyl]methanesulfonamide
PubChem CID99828947
Molecular FormulaC16H19ClFN3O2S
Molecular Weight371.87 g/mol
Exact Mass371.09
IUPAC Name1-(4-chloro-3-fluorophenyl)-N-[(1-cyclopentylpyrazol-3-yl)methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)c(F)c1)NCc1ccn(C2CCCC2)n1
InChIInChI=1S/C16H19ClFN3O2S/c17-15-6-5-12(9-16(15)18)11-24(22,23)19-10-13-7-8-21(20-13)14-3-1-2-4-14/h5-9,14,19H,1-4,10-11H2
InChIKeyJVICJXQIRYFHDP-UHFFFAOYSA-N
XLogP3.41
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-[(1-cyclopentylpyrazol-3-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-[(1-cyclopentylpyrazol-3-yl)methyl]methanesulfonamide (CID 99828947) is 1-(4-chloro-3-fluorophenyl)-N-[(1-cyclopentylpyrazol-3-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-N-[(1-cyclopentylpyrazol-3-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-N-[(1-cyclopentylpyrazol-3-yl)methyl]methanesulfonamide is O=S(=O)(Cc1ccc(Cl)c(F)c1)NCc1ccn(C2CCCC2)n1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-N-[(1-cyclopentylpyrazol-3-yl)methyl]methanesulfonamide?
The InChIKey is JVICJXQIRYFHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFN3O2S/c17-15-6-5-12(9-16(15)18)11-24(22,23)19-10-13-7-8-21(20-13)14-3-1-2-4-14/h5-9,14,19H,1-4,10-11H2.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-N-[(1-cyclopentylpyrazol-3-yl)methyl]methanesulfonamide?
1-(4-chloro-3-fluorophenyl)-N-[(1-cyclopentylpyrazol-3-yl)methyl]methanesulfonamide has a molecular weight of 371.87 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-N-[(1-cyclopentylpyrazol-3-yl)methyl]methanesulfonamide is sourced from PubChem (CID 99828947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).