N-[[4-(furan-3-yl)phenyl]methyl]-4-pyrazol-1-ylbenzenesulfonamide

C20H17N3O3S — CID 121020567

IUPACN-[[4-(furan-3-yl)phenyl]methyl]-4-pyrazol-1-ylbenzenesulfonamide
SMILESO=S(=O)(NCc1ccc(-c2ccoc2)cc1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C20H17N3O3S/c24-27(25,20-8-6-19(7-9-20)23-12-1-11-21-23)22-14-16-2-4-17(5-3-16)18-10-13-26-15-18/h1-13,15,22H,14H2
InChIKeyZMEMKHZENYAIBY-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.61
Rot. Bonds6

About N-[[4-(furan-3-yl)phenyl]methyl]-4-pyrazol-1-ylbenzenesulfonamide

N-[[4-(furan-3-yl)phenyl]methyl]-4-pyrazol-1-ylbenzenesulfonamide (PubChem CID 121020567) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is N-[[4-(furan-3-yl)phenyl]methyl]-4-pyrazol-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[4-(furan-3-yl)phenyl]methyl]-4-pyrazol-1-ylbenzenesulfonamide
PubChem CID121020567
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC NameN-[[4-(furan-3-yl)phenyl]methyl]-4-pyrazol-1-ylbenzenesulfonamide
SMILESO=S(=O)(NCc1ccc(-c2ccoc2)cc1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C20H17N3O3S/c24-27(25,20-8-6-19(7-9-20)23-12-1-11-21-23)22-14-16-2-4-17(5-3-16)18-10-13-26-15-18/h1-13,15,22H,14H2
InChIKeyZMEMKHZENYAIBY-UHFFFAOYSA-N
XLogP3.61
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(furan-2-ylmethylsulfamoyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 16332365
4-[4-Formyl-3-(4-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide
CID 52916425
1-[4-[5-(Furan-2-yl)-3-(1-phenylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-3-phenylurea
CID 66560776
1-(4-Fluorophenyl)-3-[4-[5-(furan-2-yl)-3-(1-phenylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonylthiourea
CID 145980497
4-[5-(Furan-2-yl)-3-(1-phenylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 145981934
5-[5-[4-(Furan-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]pyridine-2-sulfonamide
CID 9824231
5-[4-(Furan-2-yl)phenyl]-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole
CID 15908389
4-[5-[4-(Furan-3-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 15908394
4-[4-(Furan-2-yl)phenyl]-1-(3-methyl-4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole
CID 17923354
2-Fluoro-4-[5-[4-(furan-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 17923411
3-Fluoro-4-[5-[4-(furan-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 17923441
4-[4-(Furan-2-yl)phenyl]-1-[3-(methoxymethyl)-4-methylsulfonylphenyl]-3-(trifluoromethyl)pyrazole
CID 17923547

Frequently Asked Questions

What is the IUPAC name of N-[[4-(furan-3-yl)phenyl]methyl]-4-pyrazol-1-ylbenzenesulfonamide?
The IUPAC name of N-[[4-(furan-3-yl)phenyl]methyl]-4-pyrazol-1-ylbenzenesulfonamide (CID 121020567) is N-[[4-(furan-3-yl)phenyl]methyl]-4-pyrazol-1-ylbenzenesulfonamide.
What is the SMILES notation for N-[[4-(furan-3-yl)phenyl]methyl]-4-pyrazol-1-ylbenzenesulfonamide?
The canonical SMILES for N-[[4-(furan-3-yl)phenyl]methyl]-4-pyrazol-1-ylbenzenesulfonamide is O=S(=O)(NCc1ccc(-c2ccoc2)cc1)c1ccc(-n2cccn2)cc1.
What is the InChIKey of N-[[4-(furan-3-yl)phenyl]methyl]-4-pyrazol-1-ylbenzenesulfonamide?
The InChIKey is ZMEMKHZENYAIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S/c24-27(25,20-8-6-19(7-9-20)23-12-1-11-21-23)22-14-16-2-4-17(5-3-16)18-10-13-26-15-18/h1-13,15,22H,14H2.
What are the key properties of N-[[4-(furan-3-yl)phenyl]methyl]-4-pyrazol-1-ylbenzenesulfonamide?
N-[[4-(furan-3-yl)phenyl]methyl]-4-pyrazol-1-ylbenzenesulfonamide has a molecular weight of 379.44 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(furan-3-yl)phenyl]methyl]-4-pyrazol-1-ylbenzenesulfonamide is sourced from PubChem (CID 121020567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).