4-[3-[2-(2-chlorophenyl)-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydropyrazol-3-yl]phenyl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide

C25H25ClF6N4O3S — CID 118431676

IUPAC4-[3-[2-(2-chlorophenyl)-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydropyrazol-3-yl]phenyl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC=C(c2cccc(C3CC(C(O)(C(F)(F)F)C(F)(F)F)=NN3c3ccccc3Cl)c2)CC1
InChIInChI=1S/C25H25ClF6N4O3S/c1-34(2)40(38,39)35-12-10-16(11-13-35)17-6-5-7-18(14-17)21-15-22(23(37,24(27,28)29)25(30,31)32)33-36(21)20-9-4-3-8-19(20)26/h3-10,14,21,37H,11-13,15H2,1-2H3
InChIKeyUDYXWAPYZMNBOL-UHFFFAOYSA-N
MW611.01 g/mol
LogP5.40
Rot. Bonds6

About 4-[3-[2-(2-chlorophenyl)-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydropyrazol-3-yl]phenyl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide

4-[3-[2-(2-chlorophenyl)-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydropyrazol-3-yl]phenyl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide (PubChem CID 118431676) has the molecular formula C25H25ClF6N4O3S and a molecular weight of 611.01 g/mol. Its IUPAC name is 4-[3-[2-(2-chlorophenyl)-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydropyrazol-3-yl]phenyl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide.

Molecular Properties

Compound Name4-[3-[2-(2-chlorophenyl)-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydropyrazol-3-yl]phenyl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide
PubChem CID118431676
Molecular FormulaC25H25ClF6N4O3S
Molecular Weight611.01 g/mol
Exact Mass610.12
IUPAC Name4-[3-[2-(2-chlorophenyl)-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydropyrazol-3-yl]phenyl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC=C(c2cccc(C3CC(C(O)(C(F)(F)F)C(F)(F)F)=NN3c3ccccc3Cl)c2)CC1
InChIInChI=1S/C25H25ClF6N4O3S/c1-34(2)40(38,39)35-12-10-16(11-13-35)17-6-5-7-18(14-17)21-15-22(23(37,24(27,28)29)25(30,31)32)33-36(21)20-9-4-3-8-19(20)26/h3-10,14,21,37H,11-13,15H2,1-2H3
InChIKeyUDYXWAPYZMNBOL-UHFFFAOYSA-N
XLogP5.40
TPSA76.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.01
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[3-[2-(2-chlorophenyl)-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydropyrazol-3-yl]phenyl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(2-chlorophenyl)-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydropyrazol-3-yl]phenyl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide?
The IUPAC name of 4-[3-[2-(2-chlorophenyl)-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydropyrazol-3-yl]phenyl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide (CID 118431676) is 4-[3-[2-(2-chlorophenyl)-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydropyrazol-3-yl]phenyl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide.
What is the SMILES notation for 4-[3-[2-(2-chlorophenyl)-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydropyrazol-3-yl]phenyl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide?
The canonical SMILES for 4-[3-[2-(2-chlorophenyl)-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydropyrazol-3-yl]phenyl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide is CN(C)S(=O)(=O)N1CC=C(c2cccc(C3CC(C(O)(C(F)(F)F)C(F)(F)F)=NN3c3ccccc3Cl)c2)CC1.
What is the InChIKey of 4-[3-[2-(2-chlorophenyl)-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydropyrazol-3-yl]phenyl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide?
The InChIKey is UDYXWAPYZMNBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClF6N4O3S/c1-34(2)40(38,39)35-12-10-16(11-13-35)17-6-5-7-18(14-17)21-15-22(23(37,24(27,28)29)25(30,31)32)33-36(21)20-9-4-3-8-19(20)26/h3-10,14,21,37H,11-13,15H2,1-2H3.
What are the key properties of 4-[3-[2-(2-chlorophenyl)-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydropyrazol-3-yl]phenyl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide?
4-[3-[2-(2-chlorophenyl)-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydropyrazol-3-yl]phenyl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide has a molecular weight of 611.01 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(2-chlorophenyl)-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydropyrazol-3-yl]phenyl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide is sourced from PubChem (CID 118431676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).