N-(3,4-difluorophenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide

C14H11F2N3O3S — CID 53163430

IUPACN-(3,4-difluorophenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide
SMILESCc1oc(-c2ccn[nH]2)cc1S(=O)(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C14H11F2N3O3S/c1-8-14(7-13(22-8)12-4-5-17-18-12)23(20,21)19-9-2-3-10(15)11(16)6-9/h2-7,19H,1H3,(H,17,18)
InChIKeyJVTXTZRYUGSVDG-UHFFFAOYSA-N
MW339.32 g/mol
LogP3.06
Rot. Bonds4

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

N-(3,4-difluorophenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide (PubChem CID 53163430) has the molecular formula C14H11F2N3O3S and a molecular weight of 339.32 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide
PubChem CID53163430
Molecular FormulaC14H11F2N3O3S
Molecular Weight339.32 g/mol
Exact Mass339.05
IUPAC NameN-(3,4-difluorophenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide
SMILESCc1oc(-c2ccn[nH]2)cc1S(=O)(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C14H11F2N3O3S/c1-8-14(7-13(22-8)12-4-5-17-18-12)23(20,21)19-9-2-3-10(15)11(16)6-9/h2-7,19H,1H3,(H,17,18)
InChIKeyJVTXTZRYUGSVDG-UHFFFAOYSA-N
XLogP3.06
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluoro-4-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide
CID 53163425
N-(2-fluoro-5-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide
CID 53163440
N-(3,4-dimethoxyphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide
CID 53163395
N-(5-chloro-2-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide
CID 53163402
N-(3-chloro-2-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide
CID 53163413
N-(2-methoxy-5-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide
CID 53163434
4-fluoro-3-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide
CID 110732433
N-(3-chlorophenyl)-2-methyl-5-(1,2-oxazol-5-yl)furan-3-sulfonamide
CID 46292481
2-methyl-N-(3-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)furan-3-sulfonamide
CID 53163500
5-(aminomethyl)-N-(4-bromo-3-fluorophenyl)-2-methylfuran-3-sulfonamide
CID 106067078
N-(3,4-difluorophenyl)-1H-pyrazole-4-sulfonamide
CID 60912012
N-[4-[[2-methyl-5-(5-methyl-1H-pyrazol-3-yl)furan-3-yl]sulfonylamino]phenyl]acetamide
CID 53163484

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide (CID 53163430) is N-(3,4-difluorophenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide is Cc1oc(-c2ccn[nH]2)cc1S(=O)(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide?
The InChIKey is JVTXTZRYUGSVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3O3S/c1-8-14(7-13(22-8)12-4-5-17-18-12)23(20,21)19-9-2-3-10(15)11(16)6-9/h2-7,19H,1H3,(H,17,18).
What are the key properties of N-(3,4-difluorophenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide?
N-(3,4-difluorophenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide has a molecular weight of 339.32 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide is sourced from PubChem (CID 53163430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).