4-[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]pyridine

C18H22N2O2S — CID 110871642

IUPAC4-[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]pyridine
SMILESCC(C)c1ccc(S(=O)(=O)N2CCCC2c2ccncc2)cc1
InChIInChI=1S/C18H22N2O2S/c1-14(2)15-5-7-17(8-6-15)23(21,22)20-13-3-4-18(20)16-9-11-19-12-10-16/h5-12,14,18H,3-4,13H2,1-2H3
InChIKeyWZDMQFADZMVHOL-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.73
Rot. Bonds4

About 4-[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]pyridine

4-[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]pyridine (PubChem CID 110871642) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 4-[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name4-[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]pyridine
PubChem CID110871642
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name4-[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]pyridine
SMILESCC(C)c1ccc(S(=O)(=O)N2CCCC2c2ccncc2)cc1
InChIInChI=1S/C18H22N2O2S/c1-14(2)15-5-7-17(8-6-15)23(21,22)20-13-3-4-18(20)16-9-11-19-12-10-16/h5-12,14,18H,3-4,13H2,1-2H3
InChIKeyWZDMQFADZMVHOL-UHFFFAOYSA-N
XLogP3.73
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-pyridin-4-ylpyrrolidin-1-yl)sulfonylaniline
CID 43577800
(2R)-2-(4-fluorophenyl)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidine
CID 51856541
2-(4-methylphenyl)-1-(4-propan-2-ylphenyl)sulfonylazepane
CID 53096219
methyl 4-(2-pyridin-4-ylpyrrolidin-1-yl)sulfonylbenzoate
CID 42943935
4-[(2R)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]pyridine
CID 25361203
4-(1-propan-2-ylsulfonylpyrrolidin-2-yl)pyridine
CID 61356341
4-[(2R)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine
CID 94162249
2-propan-2-yl-1-(4-propan-2-ylphenyl)sulfonylpyrrolidine
CID 138998214
2-(3-methylphenyl)-1-(4-propan-2-ylphenyl)sulfonylazepane
CID 53096220
2-chloro-4-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]sulfonylbenzonitrile
CID 94025265
4-[1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 60727492
5-(2-pyridin-4-ylpyrrolidin-1-yl)sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 110871668

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]pyridine?
The IUPAC name of 4-[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]pyridine (CID 110871642) is 4-[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]pyridine.
What is the SMILES notation for 4-[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]pyridine?
The canonical SMILES for 4-[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]pyridine is CC(C)c1ccc(S(=O)(=O)N2CCCC2c2ccncc2)cc1.
What is the InChIKey of 4-[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]pyridine?
The InChIKey is WZDMQFADZMVHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-14(2)15-5-7-17(8-6-15)23(21,22)20-13-3-4-18(20)16-9-11-19-12-10-16/h5-12,14,18H,3-4,13H2,1-2H3.
What are the key properties of 4-[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]pyridine?
4-[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]pyridine has a molecular weight of 330.45 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]pyridine is sourced from PubChem (CID 110871642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).