4-chloro-1-(3,5-dichlorophenyl)sulfonylpiperidine

C11H12Cl3NO2S — CID 63396330

IUPAC4-chloro-1-(3,5-dichlorophenyl)sulfonylpiperidine
SMILESO=S(=O)(c1cc(Cl)cc(Cl)c1)N1CCC(Cl)CC1
InChIInChI=1S/C11H12Cl3NO2S/c12-8-1-3-15(4-2-8)18(16,17)11-6-9(13)5-10(14)7-11/h5-8H,1-4H2
InChIKeyKVLAJABKQOHLFW-UHFFFAOYSA-N
MW328.65 g/mol
LogP3.39
Rot. Bonds2

About 4-chloro-1-(3,5-dichlorophenyl)sulfonylpiperidine

4-chloro-1-(3,5-dichlorophenyl)sulfonylpiperidine (PubChem CID 63396330) has the molecular formula C11H12Cl3NO2S and a molecular weight of 328.65 g/mol. Its IUPAC name is 4-chloro-1-(3,5-dichlorophenyl)sulfonylpiperidine.

Molecular Properties

Compound Name4-chloro-1-(3,5-dichlorophenyl)sulfonylpiperidine
PubChem CID63396330
Molecular FormulaC11H12Cl3NO2S
Molecular Weight328.65 g/mol
Exact Mass326.97
IUPAC Name4-chloro-1-(3,5-dichlorophenyl)sulfonylpiperidine
SMILESO=S(=O)(c1cc(Cl)cc(Cl)c1)N1CCC(Cl)CC1
InChIInChI=1S/C11H12Cl3NO2S/c12-8-1-3-15(4-2-8)18(16,17)11-6-9(13)5-10(14)7-11/h5-8H,1-4H2
InChIKeyKVLAJABKQOHLFW-UHFFFAOYSA-N
XLogP3.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.65
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-(3,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62372743
(3R,4S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-3,4-diol
CID 79411225
1-[1-(3,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 63264275
1-(3-chlorophenyl)sulfonylpiperidine-4-carboxylic acid
CID 23607548
3-(2-chloro-4-fluorophenyl)-1-[1-(3,5-dichlorophenyl)sulfonylpiperidin-4-yl]propan-1-one
CID 158695680
1-[1-(3,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119977516
1-[4-(3,5-dichlorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanone
CID 3752352
(1R,2S,6R,7S)-4-(3,5-dichlorophenyl)sulfonyl-4,10-diazatricyclo[5.2.1.02,6]decane
CID 146532275
2-(2,6-dichlorophenyl)-1-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 24944563
5-(3,5-dichlorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66210665
1-(3,5-dichlorophenyl)sulfonyl-2-methylpiperidine
CID 21364435
3-[1-(3-carbamoyl-5-chlorophenyl)sulfonylpiperidin-4-yl]propanoic acid
CID 131961723

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(3,5-dichlorophenyl)sulfonylpiperidine?
The IUPAC name of 4-chloro-1-(3,5-dichlorophenyl)sulfonylpiperidine (CID 63396330) is 4-chloro-1-(3,5-dichlorophenyl)sulfonylpiperidine.
What is the SMILES notation for 4-chloro-1-(3,5-dichlorophenyl)sulfonylpiperidine?
The canonical SMILES for 4-chloro-1-(3,5-dichlorophenyl)sulfonylpiperidine is O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CCC(Cl)CC1.
What is the InChIKey of 4-chloro-1-(3,5-dichlorophenyl)sulfonylpiperidine?
The InChIKey is KVLAJABKQOHLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl3NO2S/c12-8-1-3-15(4-2-8)18(16,17)11-6-9(13)5-10(14)7-11/h5-8H,1-4H2.
What are the key properties of 4-chloro-1-(3,5-dichlorophenyl)sulfonylpiperidine?
4-chloro-1-(3,5-dichlorophenyl)sulfonylpiperidine has a molecular weight of 328.65 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(3,5-dichlorophenyl)sulfonylpiperidine is sourced from PubChem (CID 63396330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).