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

C13H13FN2O2S — CID 84593439

IUPAC1-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide
SMILESO=S(=O)(Cc1cccc(F)c1)NCc1ccncc1
InChIInChI=1S/C13H13FN2O2S/c14-13-3-1-2-12(8-13)10-19(17,18)16-9-11-4-6-15-7-5-11/h1-8,16H,9-10H2
InChIKeyHHOHWCPOZNUOMR-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.84
Rot. Bonds5

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

1-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide (PubChem CID 84593439) has the molecular formula C13H13FN2O2S and a molecular weight of 280.32 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide
PubChem CID84593439
Molecular FormulaC13H13FN2O2S
Molecular Weight280.32 g/mol
Exact Mass280.07
IUPAC Name1-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide
SMILESO=S(=O)(Cc1cccc(F)c1)NCc1ccncc1
InChIInChI=1S/C13H13FN2O2S/c14-13-3-1-2-12(8-13)10-19(17,18)16-9-11-4-6-15-7-5-11/h1-8,16H,9-10H2
InChIKeyHHOHWCPOZNUOMR-UHFFFAOYSA-N
XLogP1.84
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-N-(pyridin-4-ylmethyl)methanesulfonamide
CID 669282
N-(cyclopropylmethyl)-1-(3-fluorophenyl)methanesulfonamide
CID 56513002
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanesulfonamide
CID 35388728
1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]methanesulfonamide
CID 119973006
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-(3-fluorophenyl)methanesulfonamide
CID 122322649
1-(4-aminophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide
CID 30056935
1-[4-[(3-fluorophenyl)methylsulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)thiourea
CID 175587898
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-1-(3-fluorophenyl)methanesulfonamide
CID 122264174
1-(3-fluorophenyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)methanesulfonamide;hydrochloride
CID 120721822
3-fluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 25046873
1-(3-fluorophenyl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)methanesulfonamide
CID 71790796
1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide
CID 46771997

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide?
The IUPAC name of 1-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide (CID 84593439) is 1-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide is O=S(=O)(Cc1cccc(F)c1)NCc1ccncc1.
What is the InChIKey of 1-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide?
The InChIKey is HHOHWCPOZNUOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2S/c14-13-3-1-2-12(8-13)10-19(17,18)16-9-11-4-6-15-7-5-11/h1-8,16H,9-10H2.
What are the key properties of 1-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide?
1-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide has a molecular weight of 280.32 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide is sourced from PubChem (CID 84593439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).