1-[5-(chloromethyl)-2,3-difluorophenyl]sulfonyl-4-ethylpiperidine

C14H18ClF2NO2S — CID 105118250

IUPAC1-[5-(chloromethyl)-2,3-difluorophenyl]sulfonyl-4-ethylpiperidine
SMILESCCC1CCN(S(=O)(=O)c2cc(CCl)cc(F)c2F)CC1
InChIInChI=1S/C14H18ClF2NO2S/c1-2-10-3-5-18(6-4-10)21(19,20)13-8-11(9-15)7-12(16)14(13)17/h7-8,10H,2-6,9H2,1H3
InChIKeyJWWNYIJRGIIEIG-UHFFFAOYSA-N
MW337.82 g/mol
LogP3.51
Rot. Bonds4

About 1-[5-(chloromethyl)-2,3-difluorophenyl]sulfonyl-4-ethylpiperidine

1-[5-(chloromethyl)-2,3-difluorophenyl]sulfonyl-4-ethylpiperidine (PubChem CID 105118250) has the molecular formula C14H18ClF2NO2S and a molecular weight of 337.82 g/mol. Its IUPAC name is 1-[5-(chloromethyl)-2,3-difluorophenyl]sulfonyl-4-ethylpiperidine.

Molecular Properties

Compound Name1-[5-(chloromethyl)-2,3-difluorophenyl]sulfonyl-4-ethylpiperidine
PubChem CID105118250
Molecular FormulaC14H18ClF2NO2S
Molecular Weight337.82 g/mol
Exact Mass337.07
IUPAC Name1-[5-(chloromethyl)-2,3-difluorophenyl]sulfonyl-4-ethylpiperidine
SMILESCCC1CCN(S(=O)(=O)c2cc(CCl)cc(F)c2F)CC1
InChIInChI=1S/C14H18ClF2NO2S/c1-2-10-3-5-18(6-4-10)21(19,20)13-8-11(9-15)7-12(16)14(13)17/h7-8,10H,2-6,9H2,1H3
InChIKeyJWWNYIJRGIIEIG-UHFFFAOYSA-N
XLogP3.51
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.82
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[5-(chloromethyl)-2,3-difluorophenyl]sulfonyl-4-ethylpiperidine 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-[5-(chloromethyl)-2,3-difluorophenyl]sulfonyl-3-(methoxymethyl)pyrrolidine
CID 105118400
2-[5-(chloromethyl)-2,3-difluorophenyl]sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 105118472
4-[5-(chloromethyl)-2,3-difluorophenyl]sulfonyl-2,6-dimethylthiomorpholine
CID 105118383
[3,4-difluoro-5-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylphenyl]methanol
CID 105117541
3-(4-ethylpiperidin-1-yl)sulfonyl-5-fluoro-4-methylaniline
CID 79896386
N-[(3,4-difluoro-5-pyrrolidin-1-ylsulfonylphenyl)methyl]propan-2-amine
CID 105118558
N-[(3,4-difluoro-5-thiomorpholin-4-ylsulfonylphenyl)methyl]ethanamine
CID 105119204
5-chloro-3-(3-ethylpyrrolidin-1-yl)sulfonyl-2-fluoroaniline
CID 103052019
5-(chloromethyl)-N-cyclopropyl-2,3-difluorobenzenesulfonamide
CID 105118067
4-[5-(chloromethyl)-2,3-difluorophenyl]sulfonyl-3,3-dimethylmorpholine
CID 105118238
2-bromo-5-(4-ethylazepan-1-yl)sulfonyl-4-fluoroaniline
CID 116530384
[3,4-difluoro-5-(2-methylmorpholin-4-yl)sulfonylphenyl]methanol
CID 105116842

Frequently Asked Questions

What is the IUPAC name of 1-[5-(chloromethyl)-2,3-difluorophenyl]sulfonyl-4-ethylpiperidine?
The IUPAC name of 1-[5-(chloromethyl)-2,3-difluorophenyl]sulfonyl-4-ethylpiperidine (CID 105118250) is 1-[5-(chloromethyl)-2,3-difluorophenyl]sulfonyl-4-ethylpiperidine.
What is the SMILES notation for 1-[5-(chloromethyl)-2,3-difluorophenyl]sulfonyl-4-ethylpiperidine?
The canonical SMILES for 1-[5-(chloromethyl)-2,3-difluorophenyl]sulfonyl-4-ethylpiperidine is CCC1CCN(S(=O)(=O)c2cc(CCl)cc(F)c2F)CC1.
What is the InChIKey of 1-[5-(chloromethyl)-2,3-difluorophenyl]sulfonyl-4-ethylpiperidine?
The InChIKey is JWWNYIJRGIIEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF2NO2S/c1-2-10-3-5-18(6-4-10)21(19,20)13-8-11(9-15)7-12(16)14(13)17/h7-8,10H,2-6,9H2,1H3.
What are the key properties of 1-[5-(chloromethyl)-2,3-difluorophenyl]sulfonyl-4-ethylpiperidine?
1-[5-(chloromethyl)-2,3-difluorophenyl]sulfonyl-4-ethylpiperidine has a molecular weight of 337.82 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(chloromethyl)-2,3-difluorophenyl]sulfonyl-4-ethylpiperidine is sourced from PubChem (CID 105118250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).