N-(2-fluoro-5-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide

C15H14FN3O3S — CID 53163440

IUPACN-(2-fluoro-5-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide
SMILESCc1ccc(F)c(NS(=O)(=O)c2cc(-c3ccn[nH]3)oc2C)c1
InChIInChI=1S/C15H14FN3O3S/c1-9-3-4-11(16)13(7-9)19-23(20,21)15-8-14(22-10(15)2)12-5-6-17-18-12/h3-8,19H,1-2H3,(H,17,18)
InChIKeyKLGFOMDVGGTKIZ-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.23
Rot. Bonds4

About N-(2-fluoro-5-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide

N-(2-fluoro-5-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide (PubChem CID 53163440) has the molecular formula C15H14FN3O3S and a molecular weight of 335.36 g/mol. Its IUPAC name is N-(2-fluoro-5-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide
PubChem CID53163440
Molecular FormulaC15H14FN3O3S
Molecular Weight335.36 g/mol
Exact Mass335.07
IUPAC NameN-(2-fluoro-5-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide
SMILESCc1ccc(F)c(NS(=O)(=O)c2cc(-c3ccn[nH]3)oc2C)c1
InChIInChI=1S/C15H14FN3O3S/c1-9-3-4-11(16)13(7-9)19-23(20,21)15-8-14(22-10(15)2)12-5-6-17-18-12/h3-8,19H,1-2H3,(H,17,18)
InChIKeyKLGFOMDVGGTKIZ-UHFFFAOYSA-N
XLogP3.23
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide?
The IUPAC name of N-(2-fluoro-5-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide (CID 53163440) is N-(2-fluoro-5-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide.
What is the SMILES notation for N-(2-fluoro-5-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide?
The canonical SMILES for N-(2-fluoro-5-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide is Cc1ccc(F)c(NS(=O)(=O)c2cc(-c3ccn[nH]3)oc2C)c1.
What is the InChIKey of N-(2-fluoro-5-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide?
The InChIKey is KLGFOMDVGGTKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O3S/c1-9-3-4-11(16)13(7-9)19-23(20,21)15-8-14(22-10(15)2)12-5-6-17-18-12/h3-8,19H,1-2H3,(H,17,18).
What are the key properties of N-(2-fluoro-5-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide?
N-(2-fluoro-5-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide has a molecular weight of 335.36 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide is sourced from PubChem (CID 53163440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).