N-(5-ethyl-1-methylpyrazol-3-yl)-3,5-difluoro-4-methoxybenzenesulfonamide

C13H15F2N3O3S — CID 146141109

IUPACN-(5-ethyl-1-methylpyrazol-3-yl)-3,5-difluoro-4-methoxybenzenesulfonamide
SMILESCCc1cc(NS(=O)(=O)c2cc(F)c(OC)c(F)c2)nn1C
InChIInChI=1S/C13H15F2N3O3S/c1-4-8-5-12(16-18(8)2)17-22(19,20)9-6-10(14)13(21-3)11(15)7-9/h5-7H,4H2,1-3H3,(H,16,17)
InChIKeyFRMMMDSQRFYSHU-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.07
Rot. Bonds5

About N-(5-ethyl-1-methylpyrazol-3-yl)-3,5-difluoro-4-methoxybenzenesulfonamide

N-(5-ethyl-1-methylpyrazol-3-yl)-3,5-difluoro-4-methoxybenzenesulfonamide (PubChem CID 146141109) has the molecular formula C13H15F2N3O3S and a molecular weight of 331.34 g/mol. Its IUPAC name is N-(5-ethyl-1-methylpyrazol-3-yl)-3,5-difluoro-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(5-ethyl-1-methylpyrazol-3-yl)-3,5-difluoro-4-methoxybenzenesulfonamide
PubChem CID146141109
Molecular FormulaC13H15F2N3O3S
Molecular Weight331.34 g/mol
Exact Mass331.08
IUPAC NameN-(5-ethyl-1-methylpyrazol-3-yl)-3,5-difluoro-4-methoxybenzenesulfonamide
SMILESCCc1cc(NS(=O)(=O)c2cc(F)c(OC)c(F)c2)nn1C
InChIInChI=1S/C13H15F2N3O3S/c1-4-8-5-12(16-18(8)2)17-22(19,20)9-6-10(14)13(21-3)11(15)7-9/h5-7H,4H2,1-3H3,(H,16,17)
InChIKeyFRMMMDSQRFYSHU-UHFFFAOYSA-N
XLogP2.07
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1-methylpyrazol-3-yl)-3,5-difluoro-4-methoxybenzenesulfonamide?
The IUPAC name of N-(5-ethyl-1-methylpyrazol-3-yl)-3,5-difluoro-4-methoxybenzenesulfonamide (CID 146141109) is N-(5-ethyl-1-methylpyrazol-3-yl)-3,5-difluoro-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(5-ethyl-1-methylpyrazol-3-yl)-3,5-difluoro-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(5-ethyl-1-methylpyrazol-3-yl)-3,5-difluoro-4-methoxybenzenesulfonamide is CCc1cc(NS(=O)(=O)c2cc(F)c(OC)c(F)c2)nn1C.
What is the InChIKey of N-(5-ethyl-1-methylpyrazol-3-yl)-3,5-difluoro-4-methoxybenzenesulfonamide?
The InChIKey is FRMMMDSQRFYSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O3S/c1-4-8-5-12(16-18(8)2)17-22(19,20)9-6-10(14)13(21-3)11(15)7-9/h5-7H,4H2,1-3H3,(H,16,17).
What are the key properties of N-(5-ethyl-1-methylpyrazol-3-yl)-3,5-difluoro-4-methoxybenzenesulfonamide?
N-(5-ethyl-1-methylpyrazol-3-yl)-3,5-difluoro-4-methoxybenzenesulfonamide has a molecular weight of 331.34 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1-methylpyrazol-3-yl)-3,5-difluoro-4-methoxybenzenesulfonamide is sourced from PubChem (CID 146141109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).