N-[4-[2-(furan-2-carbonyl)-3-(2-hydroxyphenyl)-1,3-dihydropyrazol-5-yl]phenyl]methanesulfonamide

C21H19N3O5S — CID 71618619

IUPACN-[4-[2-(furan-2-carbonyl)-3-(2-hydroxyphenyl)-1,3-dihydropyrazol-5-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C2=CC(c3ccccc3O)N(C(=O)c3ccco3)N2)cc1
InChIInChI=1S/C21H19N3O5S/c1-30(27,28)23-15-10-8-14(9-11-15)17-13-18(16-5-2-3-6-19(16)25)24(22-17)21(26)20-7-4-12-29-20/h2-13,18,22-23,25H,1H3
InChIKeyLGZDGEYNWUHKKB-UHFFFAOYSA-N
MW425.47 g/mol
LogP3.10
Rot. Bonds5

About N-[4-[2-(furan-2-carbonyl)-3-(2-hydroxyphenyl)-1,3-dihydropyrazol-5-yl]phenyl]methanesulfonamide

N-[4-[2-(furan-2-carbonyl)-3-(2-hydroxyphenyl)-1,3-dihydropyrazol-5-yl]phenyl]methanesulfonamide (PubChem CID 71618619) has the molecular formula C21H19N3O5S and a molecular weight of 425.47 g/mol. Its IUPAC name is N-[4-[2-(furan-2-carbonyl)-3-(2-hydroxyphenyl)-1,3-dihydropyrazol-5-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-(furan-2-carbonyl)-3-(2-hydroxyphenyl)-1,3-dihydropyrazol-5-yl]phenyl]methanesulfonamide
PubChem CID71618619
Molecular FormulaC21H19N3O5S
Molecular Weight425.47 g/mol
Exact Mass425.10
IUPAC NameN-[4-[2-(furan-2-carbonyl)-3-(2-hydroxyphenyl)-1,3-dihydropyrazol-5-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C2=CC(c3ccccc3O)N(C(=O)c3ccco3)N2)cc1
InChIInChI=1S/C21H19N3O5S/c1-30(27,28)23-15-10-8-14(9-11-15)17-13-18(16-5-2-3-6-19(16)25)24(22-17)21(26)20-7-4-12-29-20/h2-13,18,22-23,25H,1H3
InChIKeyLGZDGEYNWUHKKB-UHFFFAOYSA-N
XLogP3.10
TPSA111.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.47
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[2-(furan-2-carbonyl)-3-(4-methoxyphenyl)-1,3-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
CID 71617915
N-[4-[2-acetyl-3-(1,3-benzodioxol-5-yl)-1,3-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 71618766
N-[4-[2-acetyl-3-(2-methoxyphenyl)-1,3-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
CID 71617848
1-[(3R)-3-(2-hydroxyphenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]propan-1-one
CID 2146995
N-[4-[2-(2,2-dimethylpropanoyl)-3-(3-methylphenyl)-1,3-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 71618764
N-[4-[4-(furan-2-carbonyl)-1,4-diazepane-1-carbonyl]phenyl]methanesulfonamide
CID 108544713
N-[2-[5-(4-ethoxyphenyl)-2-(furan-2-carbonyl)-3,4-dihydropyrazol-3-yl]phenyl]methanesulfonamide
CID 119053192
N-[2-[(3S)-5-(4-ethoxyphenyl)-2-(furan-2-carbonyl)-3,4-dihydropyrazol-3-yl]phenyl]methanesulfonamide
CID 124847686
[(2S)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 39968800
[(1S,8S)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl]-(furan-2-yl)methanone
CID 129470935
2-chloro-1-[(3S)-3-(furan-2-yl)-5-(4-methylphenyl)-1,3-dihydropyrazol-2-yl]ethanone
CID 2405166
4-[(3S)-3-(furan-2-yl)-5-phenyl-1,3-dihydropyrazol-2-yl]-4-oxobut-2-enoic acid
CID 7011236

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(furan-2-carbonyl)-3-(2-hydroxyphenyl)-1,3-dihydropyrazol-5-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[2-(furan-2-carbonyl)-3-(2-hydroxyphenyl)-1,3-dihydropyrazol-5-yl]phenyl]methanesulfonamide (CID 71618619) is N-[4-[2-(furan-2-carbonyl)-3-(2-hydroxyphenyl)-1,3-dihydropyrazol-5-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-(furan-2-carbonyl)-3-(2-hydroxyphenyl)-1,3-dihydropyrazol-5-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-(furan-2-carbonyl)-3-(2-hydroxyphenyl)-1,3-dihydropyrazol-5-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(C2=CC(c3ccccc3O)N(C(=O)c3ccco3)N2)cc1.
What is the InChIKey of N-[4-[2-(furan-2-carbonyl)-3-(2-hydroxyphenyl)-1,3-dihydropyrazol-5-yl]phenyl]methanesulfonamide?
The InChIKey is LGZDGEYNWUHKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O5S/c1-30(27,28)23-15-10-8-14(9-11-15)17-13-18(16-5-2-3-6-19(16)25)24(22-17)21(26)20-7-4-12-29-20/h2-13,18,22-23,25H,1H3.
What are the key properties of N-[4-[2-(furan-2-carbonyl)-3-(2-hydroxyphenyl)-1,3-dihydropyrazol-5-yl]phenyl]methanesulfonamide?
N-[4-[2-(furan-2-carbonyl)-3-(2-hydroxyphenyl)-1,3-dihydropyrazol-5-yl]phenyl]methanesulfonamide has a molecular weight of 425.47 g/mol, XLogP of 3.10, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(furan-2-carbonyl)-3-(2-hydroxyphenyl)-1,3-dihydropyrazol-5-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 71618619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).