N-[2-[(3S)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-propyl-3-(trifluoromethyl)benzenesulfonamide

C25H23ClF3N3O4S — CID 98405581

IUPACN-[2-[(3S)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-propyl-3-(trifluoromethyl)benzenesulfonamide
SMILESCCCN(CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H23ClF3N3O4S/c1-2-12-31(37(34,35)20-6-3-5-18(14-20)25(27,28)29)16-24(33)32-22(23-7-4-13-36-23)15-21(30-32)17-8-10-19(26)11-9-17/h3-11,13-14,22H,2,12,15-16H2,1H3/t22-/m0/s1
InChIKeyIWQZZXMSQFDBOJ-QFIPXVFZSA-N
MW553.99 g/mol
LogP5.73
Rot. Bonds8

About N-[2-[(3S)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-propyl-3-(trifluoromethyl)benzenesulfonamide

N-[2-[(3S)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-propyl-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 98405581) has the molecular formula C25H23ClF3N3O4S and a molecular weight of 553.99 g/mol. Its IUPAC name is N-[2-[(3S)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-propyl-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[(3S)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-propyl-3-(trifluoromethyl)benzenesulfonamide
PubChem CID98405581
Molecular FormulaC25H23ClF3N3O4S
Molecular Weight553.99 g/mol
Exact Mass553.10
IUPAC NameN-[2-[(3S)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-propyl-3-(trifluoromethyl)benzenesulfonamide
SMILESCCCN(CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H23ClF3N3O4S/c1-2-12-31(37(34,35)20-6-3-5-18(14-20)25(27,28)29)16-24(33)32-22(23-7-4-13-36-23)15-21(30-32)17-8-10-19(26)11-9-17/h3-11,13-14,22H,2,12,15-16H2,1H3/t22-/m0/s1
InChIKeyIWQZZXMSQFDBOJ-QFIPXVFZSA-N
XLogP5.73
TPSA83.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.99
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[2-[(3S)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-propyl-3-(trifluoromethyl)benzenesulfonamide 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-[2-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide
CID 41119151
N-[2-[(3S)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide
CID 41119150
2-[[2-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9302999
[2-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 5016794
2-[[2-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 55387403
1-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-pyrrolidin-1-ylethanone
CID 3791502
[2-[(3S)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
CID 8918753
1-[(3S)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ium-1-ylethanone
CID 7447846
[2-[(3S)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] N,N-dimethylcarbamodithioate
CID 8007976
N-[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 4848133
1-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(3-methylphenoxy)ethanone
CID 7788818
2-[[2-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 55354311

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-propyl-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[2-[(3S)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-propyl-3-(trifluoromethyl)benzenesulfonamide (CID 98405581) is N-[2-[(3S)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-propyl-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-[(3S)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-propyl-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[2-[(3S)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-propyl-3-(trifluoromethyl)benzenesulfonamide is CCCN(CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1)S(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-[(3S)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-propyl-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is IWQZZXMSQFDBOJ-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H23ClF3N3O4S/c1-2-12-31(37(34,35)20-6-3-5-18(14-20)25(27,28)29)16-24(33)32-22(23-7-4-13-36-23)15-21(30-32)17-8-10-19(26)11-9-17/h3-11,13-14,22H,2,12,15-16H2,1H3/t22-/m0/s1.
What are the key properties of N-[2-[(3S)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-propyl-3-(trifluoromethyl)benzenesulfonamide?
N-[2-[(3S)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-propyl-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 553.99 g/mol, XLogP of 5.73, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-propyl-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 98405581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).