3-acetyl-N-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide

C16H15N3O4S — CID 122150995

IUPAC3-acetyl-N-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)Nc2cc(-c3ccc(C)o3)[nH]n2)c1
InChIInChI=1S/C16H15N3O4S/c1-10-6-7-15(23-10)14-9-16(18-17-14)19-24(21,22)13-5-3-4-12(8-13)11(2)20/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyZBCYGKFBPXKEKK-UHFFFAOYSA-N
MW345.38 g/mol
LogP2.98
Rot. Bonds5

About 3-acetyl-N-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide

3-acetyl-N-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide (PubChem CID 122150995) has the molecular formula C16H15N3O4S and a molecular weight of 345.38 g/mol. Its IUPAC name is 3-acetyl-N-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide
PubChem CID122150995
Molecular FormulaC16H15N3O4S
Molecular Weight345.38 g/mol
Exact Mass345.08
IUPAC Name3-acetyl-N-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)Nc2cc(-c3ccc(C)o3)[nH]n2)c1
InChIInChI=1S/C16H15N3O4S/c1-10-6-7-15(23-10)14-9-16(18-17-14)19-24(21,22)13-5-3-4-12(8-13)11(2)20/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyZBCYGKFBPXKEKK-UHFFFAOYSA-N
XLogP2.98
TPSA105.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 172435680
2-chloro-4-fluoro-5-[[5-(furan-2-yl)-1H-pyrazol-3-yl]sulfamoyl]benzoic acid
CID 172438139
3-(5-methylfuran-2-yl)-1H-pyrazol-5-amine
CID 28283194
4-methyl-3-(5-methylfuran-2-yl)-1H-pyrazol-5-amine
CID 28283195
N-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]-4-chlorobenzenesulfonamide
CID 2742271
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-(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
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
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 3-acetyl-N-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of 3-acetyl-N-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide (CID 122150995) is 3-acetyl-N-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)Nc2cc(-c3ccc(C)o3)[nH]n2)c1.
What is the InChIKey of 3-acetyl-N-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide?
The InChIKey is ZBCYGKFBPXKEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S/c1-10-6-7-15(23-10)14-9-16(18-17-14)19-24(21,22)13-5-3-4-12(8-13)11(2)20/h3-9H,1-2H3,(H2,17,18,19).
What are the key properties of 3-acetyl-N-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide?
3-acetyl-N-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide has a molecular weight of 345.38 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 122150995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).