2-chloro-1-[3-[3-(difluoromethoxy)phenyl]sulfonylphenyl]-4-methylpiperidine

C19H20ClF2NO3S — CID 151489897

IUPAC2-chloro-1-[3-[3-(difluoromethoxy)phenyl]sulfonylphenyl]-4-methylpiperidine
SMILESCC1CCN(c2cccc(S(=O)(=O)c3cccc(OC(F)F)c3)c2)C(Cl)C1
InChIInChI=1S/C19H20ClF2NO3S/c1-13-8-9-23(18(20)10-13)14-4-2-6-16(11-14)27(24,25)17-7-3-5-15(12-17)26-19(21)22/h2-7,11-13,18-19H,8-10H2,1H3
InChIKeyPOFXDNQWHVQTNJ-UHFFFAOYSA-N
MW415.89 g/mol
LogP4.92
Rot. Bonds5

About 2-chloro-1-[3-[3-(difluoromethoxy)phenyl]sulfonylphenyl]-4-methylpiperidine

2-chloro-1-[3-[3-(difluoromethoxy)phenyl]sulfonylphenyl]-4-methylpiperidine (PubChem CID 151489897) has the molecular formula C19H20ClF2NO3S and a molecular weight of 415.89 g/mol. Its IUPAC name is 2-chloro-1-[3-[3-(difluoromethoxy)phenyl]sulfonylphenyl]-4-methylpiperidine.

Molecular Properties

Compound Name2-chloro-1-[3-[3-(difluoromethoxy)phenyl]sulfonylphenyl]-4-methylpiperidine
PubChem CID151489897
Molecular FormulaC19H20ClF2NO3S
Molecular Weight415.89 g/mol
Exact Mass415.08
IUPAC Name2-chloro-1-[3-[3-(difluoromethoxy)phenyl]sulfonylphenyl]-4-methylpiperidine
SMILESCC1CCN(c2cccc(S(=O)(=O)c3cccc(OC(F)F)c3)c2)C(Cl)C1
InChIInChI=1S/C19H20ClF2NO3S/c1-13-8-9-23(18(20)10-13)14-4-2-6-16(11-14)27(24,25)17-7-3-5-15(12-17)26-19(21)22/h2-7,11-13,18-19H,8-10H2,1H3
InChIKeyPOFXDNQWHVQTNJ-UHFFFAOYSA-N
XLogP4.92
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.89
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 2-chloro-1-[3-[3-(difluoromethoxy)phenyl]sulfonylphenyl]-4-methylpiperidine 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-[3-[3-(difluoromethoxy)phenyl]sulfonylquinolin-8-yl]piperidine-4-carboxylic acid
CID 130404336
[1-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylpiperidin-2-yl]methanamine
CID 103440458
1-[3-(difluoromethoxy)phenyl]piperidin-4-one
CID 121456125
1-[5-[3-(difluoromethoxy)phenyl]sulfonyl-2-(3-fluoropropoxy)phenyl]-4-methylpiperazine
CID 74223287
1-(benzenesulfonyl)-2-(difluoromethoxy)benzene;1-(benzenesulfonyl)-3-(difluoromethoxy)benzene;1-(benzenesulfonyl)-4-(difluoromethoxy)benzene
CID 159310106
5-[3-(difluoromethoxy)phenyl]sulfonyl-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene;hydrochloride
CID 52913219
1-[5-[3-(difluoromethoxy)phenyl]sulfonyl-2-methoxyphenyl]-4-(3-fluoropropyl)piperazine
CID 74223233
(6aS,8S)-3-[3-(difluoromethoxy)-5-fluorophenyl]-8-methyl-5-[3-(trifluoromethyl)phenyl]sulfonyl-6,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline
CID 166937052
[3-(difluoromethoxy)phenyl]-(3-methylpiperidin-1-yl)methanone
CID 78783741
[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-[3-(difluoromethoxy)phenyl]methanone
CID 102783612
[4-[3-(difluoromethoxy)benzoyl]-3-methylpiperazin-1-yl]-[3-(difluoromethoxy)phenyl]methanone
CID 112811910
3-(difluoromethoxy)-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
CID 75310647

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[3-[3-(difluoromethoxy)phenyl]sulfonylphenyl]-4-methylpiperidine?
The IUPAC name of 2-chloro-1-[3-[3-(difluoromethoxy)phenyl]sulfonylphenyl]-4-methylpiperidine (CID 151489897) is 2-chloro-1-[3-[3-(difluoromethoxy)phenyl]sulfonylphenyl]-4-methylpiperidine.
What is the SMILES notation for 2-chloro-1-[3-[3-(difluoromethoxy)phenyl]sulfonylphenyl]-4-methylpiperidine?
The canonical SMILES for 2-chloro-1-[3-[3-(difluoromethoxy)phenyl]sulfonylphenyl]-4-methylpiperidine is CC1CCN(c2cccc(S(=O)(=O)c3cccc(OC(F)F)c3)c2)C(Cl)C1.
What is the InChIKey of 2-chloro-1-[3-[3-(difluoromethoxy)phenyl]sulfonylphenyl]-4-methylpiperidine?
The InChIKey is POFXDNQWHVQTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF2NO3S/c1-13-8-9-23(18(20)10-13)14-4-2-6-16(11-14)27(24,25)17-7-3-5-15(12-17)26-19(21)22/h2-7,11-13,18-19H,8-10H2,1H3.
What are the key properties of 2-chloro-1-[3-[3-(difluoromethoxy)phenyl]sulfonylphenyl]-4-methylpiperidine?
2-chloro-1-[3-[3-(difluoromethoxy)phenyl]sulfonylphenyl]-4-methylpiperidine has a molecular weight of 415.89 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[3-[3-(difluoromethoxy)phenyl]sulfonylphenyl]-4-methylpiperidine is sourced from PubChem (CID 151489897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).