N-(4-fluoro-2-methylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)furan-3-sulfonamide

C16H16FN3O3S — CID 53163480

IUPACN-(4-fluoro-2-methylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)furan-3-sulfonamide
SMILESCc1cc(-c2cc(S(=O)(=O)Nc3ccc(F)cc3C)c(C)o2)n[nH]1
InChIInChI=1S/C16H16FN3O3S/c1-9-6-12(17)4-5-13(9)20-24(21,22)16-8-15(23-11(16)3)14-7-10(2)18-19-14/h4-8,20H,1-3H3,(H,18,19)
InChIKeyWKYMGYBKHCIYOB-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.53
Rot. Bonds4

About N-(4-fluoro-2-methylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)furan-3-sulfonamide

N-(4-fluoro-2-methylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)furan-3-sulfonamide (PubChem CID 53163480) has the molecular formula C16H16FN3O3S and a molecular weight of 349.39 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)furan-3-sulfonamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)furan-3-sulfonamide
PubChem CID53163480
Molecular FormulaC16H16FN3O3S
Molecular Weight349.39 g/mol
Exact Mass349.09
IUPAC NameN-(4-fluoro-2-methylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)furan-3-sulfonamide
SMILESCc1cc(-c2cc(S(=O)(=O)Nc3ccc(F)cc3C)c(C)o2)n[nH]1
InChIInChI=1S/C16H16FN3O3S/c1-9-6-12(17)4-5-13(9)20-24(21,22)16-8-15(23-11(16)3)14-7-10(2)18-19-14/h4-8,20H,1-3H3,(H,18,19)
InChIKeyWKYMGYBKHCIYOB-UHFFFAOYSA-N
XLogP3.53
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)furan-3-sulfonamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)furan-3-sulfonamide (CID 53163480) is N-(4-fluoro-2-methylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)furan-3-sulfonamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)furan-3-sulfonamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)furan-3-sulfonamide is Cc1cc(-c2cc(S(=O)(=O)Nc3ccc(F)cc3C)c(C)o2)n[nH]1.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)furan-3-sulfonamide?
The InChIKey is WKYMGYBKHCIYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O3S/c1-9-6-12(17)4-5-13(9)20-24(21,22)16-8-15(23-11(16)3)14-7-10(2)18-19-14/h4-8,20H,1-3H3,(H,18,19).
What are the key properties of N-(4-fluoro-2-methylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)furan-3-sulfonamide?
N-(4-fluoro-2-methylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)furan-3-sulfonamide has a molecular weight of 349.39 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)furan-3-sulfonamide is sourced from PubChem (CID 53163480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).