5-(4-chlorophenyl)-3-ethylsulfonyl-2-propan-2-ylpyridine

C16H18ClNO2S — CID 131984207

IUPAC5-(4-chlorophenyl)-3-ethylsulfonyl-2-propan-2-ylpyridine
SMILESCCS(=O)(=O)c1cc(-c2ccc(Cl)cc2)cnc1C(C)C
InChIInChI=1S/C16H18ClNO2S/c1-4-21(19,20)15-9-13(10-18-16(15)11(2)3)12-5-7-14(17)8-6-12/h5-11H,4H2,1-3H3
InChIKeyALLKYIQFUYIAOX-UHFFFAOYSA-N
MW323.85 g/mol
LogP4.32
Rot. Bonds4

About 5-(4-chlorophenyl)-3-ethylsulfonyl-2-propan-2-ylpyridine

5-(4-chlorophenyl)-3-ethylsulfonyl-2-propan-2-ylpyridine (PubChem CID 131984207) has the molecular formula C16H18ClNO2S and a molecular weight of 323.85 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-ethylsulfonyl-2-propan-2-ylpyridine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-ethylsulfonyl-2-propan-2-ylpyridine
PubChem CID131984207
Molecular FormulaC16H18ClNO2S
Molecular Weight323.85 g/mol
Exact Mass323.07
IUPAC Name5-(4-chlorophenyl)-3-ethylsulfonyl-2-propan-2-ylpyridine
SMILESCCS(=O)(=O)c1cc(-c2ccc(Cl)cc2)cnc1C(C)C
InChIInChI=1S/C16H18ClNO2S/c1-4-21(19,20)15-9-13(10-18-16(15)11(2)3)12-5-7-14(17)8-6-12/h5-11H,4H2,1-3H3
InChIKeyALLKYIQFUYIAOX-UHFFFAOYSA-N
XLogP4.32
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-chlorophenyl)-3-ethylpyridin-2-amine
CID 142402687
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CID 129193248
5-(4-chlorophenyl)-2-methylpyridine-3-carbonitrile
CID 13079832
5-(4-ethylphenyl)-2-fluorobenzenesulfonyl chloride
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N-tert-butyl-3-(4-chlorophenyl)-5-(2-propan-2-yl-3-pyridinyl)benzamide
CID 126572774
5-(4-chlorophenyl)-4-ethylpyridin-2-amine
CID 58709677
2-(4-chlorophenyl)-5-ethyl-1H-imidazole
CID 90782156
4-(4-chlorophenyl)-2-ethyl-1-methylbenzene
CID 22968913
2-(2-ethylsulfonyl-4-phenylphenyl)-2-hydroxyacetic acid
CID 54490714
3-(chloromethyl)-2-(difluoromethyl)-5-[3-(difluoromethyl)-4-fluorophenyl]pyridine;hydrochloride
CID 155385696
2-chloro-5-(4-propan-2-ylphenyl)pyridine-3-carbonitrile
CID 82120608

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-ethylsulfonyl-2-propan-2-ylpyridine?
The IUPAC name of 5-(4-chlorophenyl)-3-ethylsulfonyl-2-propan-2-ylpyridine (CID 131984207) is 5-(4-chlorophenyl)-3-ethylsulfonyl-2-propan-2-ylpyridine.
What is the SMILES notation for 5-(4-chlorophenyl)-3-ethylsulfonyl-2-propan-2-ylpyridine?
The canonical SMILES for 5-(4-chlorophenyl)-3-ethylsulfonyl-2-propan-2-ylpyridine is CCS(=O)(=O)c1cc(-c2ccc(Cl)cc2)cnc1C(C)C.
What is the InChIKey of 5-(4-chlorophenyl)-3-ethylsulfonyl-2-propan-2-ylpyridine?
The InChIKey is ALLKYIQFUYIAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2S/c1-4-21(19,20)15-9-13(10-18-16(15)11(2)3)12-5-7-14(17)8-6-12/h5-11H,4H2,1-3H3.
What are the key properties of 5-(4-chlorophenyl)-3-ethylsulfonyl-2-propan-2-ylpyridine?
5-(4-chlorophenyl)-3-ethylsulfonyl-2-propan-2-ylpyridine has a molecular weight of 323.85 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-ethylsulfonyl-2-propan-2-ylpyridine is sourced from PubChem (CID 131984207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).