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

C16H16FN3O3S — CID 53163474

IUPACN-(3-fluoro-4-methylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)furan-3-sulfonamide
SMILESCc1cc(-c2cc(S(=O)(=O)Nc3ccc(C)c(F)c3)c(C)o2)n[nH]1
InChIInChI=1S/C16H16FN3O3S/c1-9-4-5-12(7-13(9)17)20-24(21,22)16-8-15(23-11(16)3)14-6-10(2)18-19-14/h4-8,20H,1-3H3,(H,18,19)
InChIKeyNCOUAFBLBLJUBG-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.53
Rot. Bonds4

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

N-(3-fluoro-4-methylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)furan-3-sulfonamide (PubChem CID 53163474) has the molecular formula C16H16FN3O3S and a molecular weight of 349.39 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)furan-3-sulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)furan-3-sulfonamide
PubChem CID53163474
Molecular FormulaC16H16FN3O3S
Molecular Weight349.39 g/mol
Exact Mass349.09
IUPAC NameN-(3-fluoro-4-methylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)furan-3-sulfonamide
SMILESCc1cc(-c2cc(S(=O)(=O)Nc3ccc(C)c(F)c3)c(C)o2)n[nH]1
InChIInChI=1S/C16H16FN3O3S/c1-9-4-5-12(7-13(9)17)20-24(21,22)16-8-15(23-11(16)3)14-6-10(2)18-19-14/h4-8,20H,1-3H3,(H,18,19)
InChIKeyNCOUAFBLBLJUBG-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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Related Compounds

5-[5-(2,4-Difluorophenyl)furan-2-yl]-1-(2,4-difluorophenyl)sulfonylpyrazole
CID 2805865
N-(3-Chloro-4-fluorophenyl)-2-methyl-5-(1H-pyrazol-5-YL)furan-3-sulfonamide
CID 53163427
5-(3,4-Dimethyl-1H-pyrazol-5-YL)-N-[(5-methylfuran-2-YL)methyl]furan-2-sulfonamide
CID 53075755
1-{[5-(3-methyl-1H-pyrazol-5-yl)-2-furyl]sulfonyl}indoline
CID 46329418
N-(3-chloro-4-fluorophenyl)-5-(3-methyl-1H-pyrazol-5-yl)furan-2-sulfonamide
CID 46329423
N-(4-fluoro-2-methylphenyl)-5-(3-methyl-1H-pyrazol-5-yl)furan-2-sulfonamide
CID 46329424
1-{[5-(3,4-Dimethyl-1H-pyrazol-5-YL)furan-2-YL]sulfonyl}-4-methylpiperazine
CID 50784637
N-(4-Acetamidophenyl)-1-{[5-(3-methyl-1H-pyrazol-5-YL)furan-2-YL]sulfonyl}piperidine-4-carboxamide
CID 50787075
5-(3,4-dimethyl-1H-pyrazol-5-yl)-N-(4-methoxyphenyl)furan-2-sulfonamide
CID 53075747
5-(3,4-dimethyl-1H-pyrazol-5-yl)-N-(4-methylcyclohexyl)furan-2-sulfonamide
CID 53075753
2-methyl-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]furan-3-sulfonamide
CID 53163433
N-(2-fluoro-5-methylphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide
CID 53163440

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)furan-3-sulfonamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)furan-3-sulfonamide (CID 53163474) is N-(3-fluoro-4-methylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)furan-3-sulfonamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)furan-3-sulfonamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)furan-3-sulfonamide is Cc1cc(-c2cc(S(=O)(=O)Nc3ccc(C)c(F)c3)c(C)o2)n[nH]1.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)furan-3-sulfonamide?
The InChIKey is NCOUAFBLBLJUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O3S/c1-9-4-5-12(7-13(9)17)20-24(21,22)16-8-15(23-11(16)3)14-6-10(2)18-19-14/h4-8,20H,1-3H3,(H,18,19).
What are the key properties of N-(3-fluoro-4-methylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)furan-3-sulfonamide?
N-(3-fluoro-4-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-(3-fluoro-4-methylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)furan-3-sulfonamide is sourced from PubChem (CID 53163474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).