1-(2,4-difluorophenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine

C15H21F2NO4S2 — CID 90590341

IUPAC1-(2,4-difluorophenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine
SMILESCC(C)CS(=O)(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C15H21F2NO4S2/c1-11(2)10-23(19,20)13-5-7-18(8-6-13)24(21,22)15-4-3-12(16)9-14(15)17/h3-4,9,11,13H,5-8,10H2,1-2H3
InChIKeyYMTYSSRYADACCQ-UHFFFAOYSA-N
MW381.47 g/mol
LogP2.19
Rot. Bonds5

About 1-(2,4-difluorophenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine

1-(2,4-difluorophenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine (PubChem CID 90590341) has the molecular formula C15H21F2NO4S2 and a molecular weight of 381.47 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine
PubChem CID90590341
Molecular FormulaC15H21F2NO4S2
Molecular Weight381.47 g/mol
Exact Mass381.09
IUPAC Name1-(2,4-difluorophenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine
SMILESCC(C)CS(=O)(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C15H21F2NO4S2/c1-11(2)10-23(19,20)13-5-7-18(8-6-13)24(21,22)15-4-3-12(16)9-14(15)17/h3-4,9,11,13H,5-8,10H2,1-2H3
InChIKeyYMTYSSRYADACCQ-UHFFFAOYSA-N
XLogP2.19
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2,4-difluorophenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine 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

1-(2,4-dimethylphenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine
CID 90590279
1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 63248386
1-(2,4-difluorophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 119979918
1-(2,4-difluorophenyl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide
CID 60599241
4-(2-chloroethoxy)-1-(2,4-difluorophenyl)sulfonylpiperidine
CID 82689238
1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine
CID 90590318
1-(2,4-difluorophenyl)sulfonyl-4-methylsulfonylpiperazine
CID 19684016
3-(chloromethyl)-1-(2,4-difluorophenyl)sulfonylpyrrolidine
CID 63400627
4-(2-methylpropylsulfonyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine
CID 90590315
(3S,5S)-1-(2,4-difluorophenyl)sulfonyl-3,5-dimethylpiperidine
CID 2409021
1-(2,4-difluorophenyl)sulfonyl-4-[(1R)-1-(4-fluorophenyl)ethyl]piperazin-4-ium
CID 8771508
1-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-1-one
CID 51169740

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine?
The IUPAC name of 1-(2,4-difluorophenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine (CID 90590341) is 1-(2,4-difluorophenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine.
What is the SMILES notation for 1-(2,4-difluorophenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine?
The canonical SMILES for 1-(2,4-difluorophenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine is CC(C)CS(=O)(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of 1-(2,4-difluorophenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine?
The InChIKey is YMTYSSRYADACCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO4S2/c1-11(2)10-23(19,20)13-5-7-18(8-6-13)24(21,22)15-4-3-12(16)9-14(15)17/h3-4,9,11,13H,5-8,10H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine?
1-(2,4-difluorophenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine has a molecular weight of 381.47 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine is sourced from PubChem (CID 90590341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).