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

C15H14FN3O3S — CID 46329424

IUPACN-(4-fluoro-2-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide
SMILESCc1cc(-c2ccc(S(=O)(=O)Nc3ccc(F)cc3C)o2)n[nH]1
InChIInChI=1S/C15H14FN3O3S/c1-9-7-11(16)3-4-12(9)19-23(20,21)15-6-5-14(22-15)13-8-10(2)17-18-13/h3-8,19H,1-2H3,(H,17,18)
InChIKeyUZHXXVSTNSBOIF-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.23
Rot. Bonds4

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

N-(4-fluoro-2-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide (PubChem CID 46329424) has the molecular formula C15H14FN3O3S and a molecular weight of 335.36 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide
PubChem CID46329424
Molecular FormulaC15H14FN3O3S
Molecular Weight335.36 g/mol
Exact Mass335.07
IUPAC NameN-(4-fluoro-2-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide
SMILESCc1cc(-c2ccc(S(=O)(=O)Nc3ccc(F)cc3C)o2)n[nH]1
InChIInChI=1S/C15H14FN3O3S/c1-9-7-11(16)3-4-12(9)19-23(20,21)15-6-5-14(22-15)13-8-10(2)17-18-13/h3-8,19H,1-2H3,(H,17,18)
InChIKeyUZHXXVSTNSBOIF-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-(4-fluoro-2-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide (CID 46329424) is N-(4-fluoro-2-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide is Cc1cc(-c2ccc(S(=O)(=O)Nc3ccc(F)cc3C)o2)n[nH]1.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide?
The InChIKey is UZHXXVSTNSBOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O3S/c1-9-7-11(16)3-4-12(9)19-23(20,21)15-6-5-14(22-15)13-8-10(2)17-18-13/h3-8,19H,1-2H3,(H,17,18).
What are the key properties of N-(4-fluoro-2-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide?
N-(4-fluoro-2-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-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-(4-fluoro-2-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-2-sulfonamide is sourced from PubChem (CID 46329424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).