N-cyclopropyl-N-[1-(2-pyrazol-1-ylbenzoyl)piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide

C25H25F3N4O3S — CID 23641675

IUPACN-cyclopropyl-N-[1-(2-pyrazol-1-ylbenzoyl)piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=C(c1ccccc1-n1cccn1)N1CCC(N(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C25H25F3N4O3S/c26-25(27,28)18-5-3-6-21(17-18)36(34,35)32(19-9-10-19)20-11-15-30(16-12-20)24(33)22-7-1-2-8-23(22)31-14-4-13-29-31/h1-8,13-14,17,19-20H,9-12,15-16H2
InChIKeyHMBHPUKTIMARED-UHFFFAOYSA-N
MW518.56 g/mol
LogP4.35
Rot. Bonds6

About N-cyclopropyl-N-[1-(2-pyrazol-1-ylbenzoyl)piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide

N-cyclopropyl-N-[1-(2-pyrazol-1-ylbenzoyl)piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 23641675) has the molecular formula C25H25F3N4O3S and a molecular weight of 518.56 g/mol. Its IUPAC name is N-cyclopropyl-N-[1-(2-pyrazol-1-ylbenzoyl)piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[1-(2-pyrazol-1-ylbenzoyl)piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID23641675
Molecular FormulaC25H25F3N4O3S
Molecular Weight518.56 g/mol
Exact Mass518.16
IUPAC NameN-cyclopropyl-N-[1-(2-pyrazol-1-ylbenzoyl)piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=C(c1ccccc1-n1cccn1)N1CCC(N(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C25H25F3N4O3S/c26-25(27,28)18-5-3-6-21(17-18)36(34,35)32(19-9-10-19)20-11-15-30(16-12-20)24(33)22-7-1-2-8-23(22)31-14-4-13-29-31/h1-8,13-14,17,19-20H,9-12,15-16H2
InChIKeyHMBHPUKTIMARED-UHFFFAOYSA-N
XLogP4.35
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.56
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-(3-(1H-pyrazol-1-yl)-5-(trifluoromethyl)phenylsulfonyl)piperazin-1-yl)((1R,2R)-2-(4-(trifluoromethyl)phenyl)cyclopropyl)methanone
CID 42625946
[2-(4,4-Difluoropiperidin-1-yl)-5-methylsulfonylphenyl]-[2-(2-fluorophenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]methanone
CID 118479293
N-[1-(fluoromethyl)cyclopropyl]-1-methyl-3-[(1-methylpyrazol-4-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
CID 121398347
1-ethyl-N-[1-(fluoromethyl)cyclopropyl]-3-[(1-methylpyrazol-4-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
CID 121398517
N-methyl-3-[methyl-(4-methylphenyl)sulfamoyl]-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 16322478
3-(4-Fluorophenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide
CID 76332758
[4-(3-Fluorophenyl)sulfonylpiperazin-1-yl]-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone
CID 16297229
[4-(2-Fluorophenyl)sulfonylpiperazin-1-yl]-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone
CID 16296668
N-methyl-3-[methyl(phenyl)sulfamoyl]-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 16323468
N-[(1-benzylpyrazol-4-yl)methyl]-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzamide
CID 16324867
US10617680, Example 302
CID 135355256
US10617680, Example 303
CID 140929086

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[1-(2-pyrazol-1-ylbenzoyl)piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-N-[1-(2-pyrazol-1-ylbenzoyl)piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide (CID 23641675) is N-cyclopropyl-N-[1-(2-pyrazol-1-ylbenzoyl)piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-N-[1-(2-pyrazol-1-ylbenzoyl)piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-N-[1-(2-pyrazol-1-ylbenzoyl)piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide is O=C(c1ccccc1-n1cccn1)N1CCC(N(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-cyclopropyl-N-[1-(2-pyrazol-1-ylbenzoyl)piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is HMBHPUKTIMARED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N4O3S/c26-25(27,28)18-5-3-6-21(17-18)36(34,35)32(19-9-10-19)20-11-15-30(16-12-20)24(33)22-7-1-2-8-23(22)31-14-4-13-29-31/h1-8,13-14,17,19-20H,9-12,15-16H2.
What are the key properties of N-cyclopropyl-N-[1-(2-pyrazol-1-ylbenzoyl)piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide?
N-cyclopropyl-N-[1-(2-pyrazol-1-ylbenzoyl)piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 518.56 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[1-(2-pyrazol-1-ylbenzoyl)piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 23641675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).