1-(4-fluorophenyl)-N-(4-pyridin-3-ylbutyl)methanesulfonamide

C16H19FN2O2S — CID 110661344

IUPAC1-(4-fluorophenyl)-N-(4-pyridin-3-ylbutyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NCCCCc1cccnc1
InChIInChI=1S/C16H19FN2O2S/c17-16-8-6-15(7-9-16)13-22(20,21)19-11-2-1-4-14-5-3-10-18-12-14/h3,5-10,12,19H,1-2,4,11,13H2
InChIKeyIUOWLNPLWDUOPV-UHFFFAOYSA-N
MW322.40 g/mol
LogP2.66
Rot. Bonds8

About 1-(4-fluorophenyl)-N-(4-pyridin-3-ylbutyl)methanesulfonamide

1-(4-fluorophenyl)-N-(4-pyridin-3-ylbutyl)methanesulfonamide (PubChem CID 110661344) has the molecular formula C16H19FN2O2S and a molecular weight of 322.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(4-pyridin-3-ylbutyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(4-pyridin-3-ylbutyl)methanesulfonamide
PubChem CID110661344
Molecular FormulaC16H19FN2O2S
Molecular Weight322.40 g/mol
Exact Mass322.12
IUPAC Name1-(4-fluorophenyl)-N-(4-pyridin-3-ylbutyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NCCCCc1cccnc1
InChIInChI=1S/C16H19FN2O2S/c17-16-8-6-15(7-9-16)13-22(20,21)19-11-2-1-4-14-5-3-10-18-12-14/h3,5-10,12,19H,1-2,4,11,13H2
InChIKeyIUOWLNPLWDUOPV-UHFFFAOYSA-N
XLogP2.66
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-pyridin-3-ylbutyl)propane-1-sulfonamide
CID 110661317
3-[4-(dimethylsulfamoylamino)butyl]pyridine
CID 110661318
2-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 55168633
1-(4-fluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]methanesulfonamide
CID 32677965
5-chloro-N-(4-pyridin-3-ylbutyl)thiophene-2-sulfonamide
CID 110661337
8-pyridin-3-yloctane-1-sulfonic acid
CID 102468636
N-(propan-2-ylsulfamoyl)-3-pyridin-3-ylpropan-1-amine
CID 110607154
N-methyl-14-pyridin-3-yltetradecan-1-amine
CID 11001217
5,5-bis(4-fluorophenyl)-N-(4-pyridin-3-ylbutyl)pent-4-en-1-amine
CID 23051567
1-(4-fluorophenyl)-N-pyrazin-2-ylmethanesulfonamide
CID 86804588
N-(4,4-dimethylpentyl)-1-(4-fluorophenyl)methanesulfonamide
CID 110421113
1-(4-fluorophenyl)-4-pyridin-3-ylbutan-1-one
CID 57095920

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(4-pyridin-3-ylbutyl)methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(4-pyridin-3-ylbutyl)methanesulfonamide (CID 110661344) is 1-(4-fluorophenyl)-N-(4-pyridin-3-ylbutyl)methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(4-pyridin-3-ylbutyl)methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(4-pyridin-3-ylbutyl)methanesulfonamide is O=S(=O)(Cc1ccc(F)cc1)NCCCCc1cccnc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(4-pyridin-3-ylbutyl)methanesulfonamide?
The InChIKey is IUOWLNPLWDUOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2S/c17-16-8-6-15(7-9-16)13-22(20,21)19-11-2-1-4-14-5-3-10-18-12-14/h3,5-10,12,19H,1-2,4,11,13H2.
What are the key properties of 1-(4-fluorophenyl)-N-(4-pyridin-3-ylbutyl)methanesulfonamide?
1-(4-fluorophenyl)-N-(4-pyridin-3-ylbutyl)methanesulfonamide has a molecular weight of 322.40 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(4-pyridin-3-ylbutyl)methanesulfonamide is sourced from PubChem (CID 110661344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).