[4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonylpiperazin-1-yl]-(2-fluorophenyl)methanone

C16H17F3N4O3S — CID 19615055

IUPAC[4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonylpiperazin-1-yl]-(2-fluorophenyl)methanone
SMILESCc1nn(C(F)F)cc1S(=O)(=O)N1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C16H17F3N4O3S/c1-11-14(10-23(20-11)16(18)19)27(25,26)22-8-6-21(7-9-22)15(24)12-4-2-3-5-13(12)17/h2-5,10,16H,6-9H2,1H3
InChIKeyXXXOQRRNIZBZKO-UHFFFAOYSA-N
MW402.40 g/mol
LogP1.87
Rot. Bonds4

About [4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonylpiperazin-1-yl]-(2-fluorophenyl)methanone

[4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonylpiperazin-1-yl]-(2-fluorophenyl)methanone (PubChem CID 19615055) has the molecular formula C16H17F3N4O3S and a molecular weight of 402.40 g/mol. Its IUPAC name is [4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonylpiperazin-1-yl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonylpiperazin-1-yl]-(2-fluorophenyl)methanone
PubChem CID19615055
Molecular FormulaC16H17F3N4O3S
Molecular Weight402.40 g/mol
Exact Mass402.10
IUPAC Name[4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonylpiperazin-1-yl]-(2-fluorophenyl)methanone
SMILESCc1nn(C(F)F)cc1S(=O)(=O)N1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C16H17F3N4O3S/c1-11-14(10-23(20-11)16(18)19)27(25,26)22-8-6-21(7-9-22)15(24)12-4-2-3-5-13(12)17/h2-5,10,16H,6-9H2,1H3
InChIKeyXXXOQRRNIZBZKO-UHFFFAOYSA-N
XLogP1.87
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonylpiperazin-1-yl]-(2-fluorophenyl)methanone 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

(2-fluorophenyl)-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 4816855
[4-(3-chloro-2-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-(2-fluorophenyl)methanone
CID 78873668
(2-fluorophenyl)-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]methanone
CID 30752856
(2-fluorophenyl)-[4-[2-(trifluoromethoxy)phenyl]sulfonyl-1,4-diazepan-1-yl]methanone
CID 78849520
[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 9086285
methyl 4-[4-(2-fluorobenzoyl)piperazin-1-yl]sulfonyl-2,5-dimethylfuran-3-carboxylate
CID 55691812
N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]sulfonylphenyl]acetamide;oxalic acid
CID 126477348
[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 41275092
[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 108533710
(2-methylsulfanylphenyl)-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 4807248
[2-(difluoromethoxy)phenyl]-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 30280509
(2-fluorophenyl)-[4-(1-methylcyclopropyl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 136546158

Frequently Asked Questions

What is the IUPAC name of [4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonylpiperazin-1-yl]-(2-fluorophenyl)methanone?
The IUPAC name of [4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonylpiperazin-1-yl]-(2-fluorophenyl)methanone (CID 19615055) is [4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonylpiperazin-1-yl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonylpiperazin-1-yl]-(2-fluorophenyl)methanone?
The canonical SMILES for [4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonylpiperazin-1-yl]-(2-fluorophenyl)methanone is Cc1nn(C(F)F)cc1S(=O)(=O)N1CCN(C(=O)c2ccccc2F)CC1.
What is the InChIKey of [4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonylpiperazin-1-yl]-(2-fluorophenyl)methanone?
The InChIKey is XXXOQRRNIZBZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O3S/c1-11-14(10-23(20-11)16(18)19)27(25,26)22-8-6-21(7-9-22)15(24)12-4-2-3-5-13(12)17/h2-5,10,16H,6-9H2,1H3.
What are the key properties of [4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonylpiperazin-1-yl]-(2-fluorophenyl)methanone?
[4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonylpiperazin-1-yl]-(2-fluorophenyl)methanone has a molecular weight of 402.40 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonylpiperazin-1-yl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 19615055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).