N-[2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2,6-difluorobenzenesulfonamide

C18H18F2N4O2S — CID 91816618

IUPACN-[2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2,6-difluorobenzenesulfonamide
SMILESCc1nn(-c2ccccn2)c(C)c1CCNS(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C18H18F2N4O2S/c1-12-14(13(2)24(23-12)17-8-3-4-10-21-17)9-11-22-27(25,26)18-15(19)6-5-7-16(18)20/h3-8,10,22H,9,11H2,1-2H3
InChIKeyUUWIBENIYJKCPF-UHFFFAOYSA-N
MW392.43 g/mol
LogP2.68
Rot. Bonds6

About N-[2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2,6-difluorobenzenesulfonamide

N-[2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2,6-difluorobenzenesulfonamide (PubChem CID 91816618) has the molecular formula C18H18F2N4O2S and a molecular weight of 392.43 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2,6-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2,6-difluorobenzenesulfonamide
PubChem CID91816618
Molecular FormulaC18H18F2N4O2S
Molecular Weight392.43 g/mol
Exact Mass392.11
IUPAC NameN-[2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2,6-difluorobenzenesulfonamide
SMILESCc1nn(-c2ccccn2)c(C)c1CCNS(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C18H18F2N4O2S/c1-12-14(13(2)24(23-12)17-8-3-4-10-21-17)9-11-22-27(25,26)18-15(19)6-5-7-16(18)20/h3-8,10,22H,9,11H2,1-2H3
InChIKeyUUWIBENIYJKCPF-UHFFFAOYSA-N
XLogP2.68
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2,6-difluorobenzenesulfonamide?
The IUPAC name of N-[2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2,6-difluorobenzenesulfonamide (CID 91816618) is N-[2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2,6-difluorobenzenesulfonamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2,6-difluorobenzenesulfonamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2,6-difluorobenzenesulfonamide is Cc1nn(-c2ccccn2)c(C)c1CCNS(=O)(=O)c1c(F)cccc1F.
What is the InChIKey of N-[2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2,6-difluorobenzenesulfonamide?
The InChIKey is UUWIBENIYJKCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O2S/c1-12-14(13(2)24(23-12)17-8-3-4-10-21-17)9-11-22-27(25,26)18-15(19)6-5-7-16(18)20/h3-8,10,22H,9,11H2,1-2H3.
What are the key properties of N-[2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2,6-difluorobenzenesulfonamide?
N-[2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2,6-difluorobenzenesulfonamide has a molecular weight of 392.43 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2,6-difluorobenzenesulfonamide is sourced from PubChem (CID 91816618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).