N-[4-[3-(furan-2-yl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]-4-methylbenzenesulfonamide

C23H23N3O4S — CID 4279541

IUPACN-[4-[3-(furan-2-yl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]-4-methylbenzenesulfonamide
SMILESCCC(=O)N1N=C(c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)CC1c1ccco1
InChIInChI=1S/C23H23N3O4S/c1-3-23(27)26-21(22-5-4-14-30-22)15-20(24-26)17-8-10-18(11-9-17)25-31(28,29)19-12-6-16(2)7-13-19/h4-14,21,25H,3,15H2,1-2H3
InChIKeyJWSOUIOEENSDGI-UHFFFAOYSA-N
MW437.52 g/mol
LogP4.48
Rot. Bonds6

About N-[4-[3-(furan-2-yl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]-4-methylbenzenesulfonamide

N-[4-[3-(furan-2-yl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]-4-methylbenzenesulfonamide (PubChem CID 4279541) has the molecular formula C23H23N3O4S and a molecular weight of 437.52 g/mol. Its IUPAC name is N-[4-[3-(furan-2-yl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[3-(furan-2-yl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]-4-methylbenzenesulfonamide
PubChem CID4279541
Molecular FormulaC23H23N3O4S
Molecular Weight437.52 g/mol
Exact Mass437.14
IUPAC NameN-[4-[3-(furan-2-yl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]-4-methylbenzenesulfonamide
SMILESCCC(=O)N1N=C(c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)CC1c1ccco1
InChIInChI=1S/C23H23N3O4S/c1-3-23(27)26-21(22-5-4-14-30-22)15-20(24-26)17-8-10-18(11-9-17)25-31(28,29)19-12-6-16(2)7-13-19/h4-14,21,25H,3,15H2,1-2H3
InChIKeyJWSOUIOEENSDGI-UHFFFAOYSA-N
XLogP4.48
TPSA91.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[3-(furan-2-yl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-{4-[5-(furan-2-yl)-1-(furan-2-ylcarbonyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}methanesulfonamide
CID 2980034
4-{[(3-fluorophenyl)sulfonyl]amino}-N-(2-furylmethyl)benzamide
CID 984669
4-[ethyl(phenyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide
CID 3314293
N-(4-(1-(furan-2-carbonyl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenyl)methanesulfonamide
CID 4161015
5-(5-(Furan-2-yl)-3-(4-(methylsulfonamido)phenyl)-4,5-dihydropyrazol-1-yl)-5-oxopentanoic acid
CID 4559036
3-{4-[(Ethylsulfonyl)amino]phenyl}-5-(3-fluorophenyl)(2-pyrazolinyl) 2-furyl k etone
CID 16187757
N-(furan-2-ylmethyl)-4-{[(4-methoxyphenyl)sulfonyl](methyl)amino}benzamide
CID 2231275
[2-(Furan-2-ylmethylamino)-2-oxoethyl] 4-(phenylsulfamoyl)benzoate
CID 2376386
N-(furan-2-ylmethyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2704656
N-{4-[1-[(4-fluorophenyl)sulfonyl]-5-(2-furyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}ethanesulfonamide
CID 2978514
N-{4-[1-(4-Fluorobenzenesulfonyl)-5-(furan-2-YL)-4,5-dihydro-1H-pyrazol-3-YL]phenyl}methanesulfonamide
CID 3469597
N-(4-(1-acetyl-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl)phenyl)benzenesulfonamide
CID 3998145

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(furan-2-yl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-[3-(furan-2-yl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]-4-methylbenzenesulfonamide (CID 4279541) is N-[4-[3-(furan-2-yl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-[3-(furan-2-yl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-[3-(furan-2-yl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]-4-methylbenzenesulfonamide is CCC(=O)N1N=C(c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)CC1c1ccco1.
What is the InChIKey of N-[4-[3-(furan-2-yl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]-4-methylbenzenesulfonamide?
The InChIKey is JWSOUIOEENSDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4S/c1-3-23(27)26-21(22-5-4-14-30-22)15-20(24-26)17-8-10-18(11-9-17)25-31(28,29)19-12-6-16(2)7-13-19/h4-14,21,25H,3,15H2,1-2H3.
What are the key properties of N-[4-[3-(furan-2-yl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]-4-methylbenzenesulfonamide?
N-[4-[3-(furan-2-yl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]-4-methylbenzenesulfonamide has a molecular weight of 437.52 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(furan-2-yl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 4279541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).