4-[4-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-1-yl]-4-(4-fluorophenyl)butan-1-ol

C21H24FNO3S — CID 23346245

IUPAC4-[4-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-1-yl]-4-(4-fluorophenyl)butan-1-ol
SMILESO=S(=O)(C1=CCN(C(CCCO)c2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C21H24FNO3S/c22-18-10-8-17(9-11-18)21(7-4-16-24)23-14-12-20(13-15-23)27(25,26)19-5-2-1-3-6-19/h1-3,5-6,8-12,21,24H,4,7,13-16H2
InChIKeyDLMXTLHPGKPFJN-UHFFFAOYSA-N
MW389.49 g/mol
LogP3.70
Rot. Bonds7

About 4-[4-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-1-yl]-4-(4-fluorophenyl)butan-1-ol

4-[4-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-1-yl]-4-(4-fluorophenyl)butan-1-ol (PubChem CID 23346245) has the molecular formula C21H24FNO3S and a molecular weight of 389.49 g/mol. Its IUPAC name is 4-[4-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-1-yl]-4-(4-fluorophenyl)butan-1-ol.

Molecular Properties

Compound Name4-[4-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-1-yl]-4-(4-fluorophenyl)butan-1-ol
PubChem CID23346245
Molecular FormulaC21H24FNO3S
Molecular Weight389.49 g/mol
Exact Mass389.15
IUPAC Name4-[4-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-1-yl]-4-(4-fluorophenyl)butan-1-ol
SMILESO=S(=O)(C1=CCN(C(CCCO)c2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C21H24FNO3S/c22-18-10-8-17(9-11-18)21(7-4-16-24)23-14-12-20(13-15-23)27(25,26)19-5-2-1-3-6-19/h1-3,5-6,8-12,21,24H,4,7,13-16H2
InChIKeyDLMXTLHPGKPFJN-UHFFFAOYSA-N
XLogP3.70
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.49
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-1-yl]-4-(4-fluorophenyl)butan-1-ol?
The IUPAC name of 4-[4-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-1-yl]-4-(4-fluorophenyl)butan-1-ol (CID 23346245) is 4-[4-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-1-yl]-4-(4-fluorophenyl)butan-1-ol.
What is the SMILES notation for 4-[4-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-1-yl]-4-(4-fluorophenyl)butan-1-ol?
The canonical SMILES for 4-[4-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-1-yl]-4-(4-fluorophenyl)butan-1-ol is O=S(=O)(C1=CCN(C(CCCO)c2ccc(F)cc2)CC1)c1ccccc1.
What is the InChIKey of 4-[4-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-1-yl]-4-(4-fluorophenyl)butan-1-ol?
The InChIKey is DLMXTLHPGKPFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO3S/c22-18-10-8-17(9-11-18)21(7-4-16-24)23-14-12-20(13-15-23)27(25,26)19-5-2-1-3-6-19/h1-3,5-6,8-12,21,24H,4,7,13-16H2.
What are the key properties of 4-[4-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-1-yl]-4-(4-fluorophenyl)butan-1-ol?
4-[4-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-1-yl]-4-(4-fluorophenyl)butan-1-ol has a molecular weight of 389.49 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-1-yl]-4-(4-fluorophenyl)butan-1-ol is sourced from PubChem (CID 23346245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).