1-(4-fluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]methanesulfonamide

C14H15FN2O2S — CID 32677965

IUPAC1-(4-fluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]methanesulfonamide
SMILESC[C@H](NS(=O)(=O)Cc1ccc(F)cc1)c1cccnc1
InChIInChI=1S/C14H15FN2O2S/c1-11(13-3-2-8-16-9-13)17-20(18,19)10-12-4-6-14(15)7-5-12/h2-9,11,17H,10H2,1H3/t11-/m0/s1
InChIKeyUYZWWHCERVJWNN-NSHDSACASA-N
MW294.35 g/mol
LogP2.40
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]methanesulfonamide

1-(4-fluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]methanesulfonamide (PubChem CID 32677965) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]methanesulfonamide
PubChem CID32677965
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC Name1-(4-fluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]methanesulfonamide
SMILESC[C@H](NS(=O)(=O)Cc1ccc(F)cc1)c1cccnc1
InChIInChI=1S/C14H15FN2O2S/c1-11(13-3-2-8-16-9-13)17-20(18,19)10-12-4-6-14(15)7-5-12/h2-9,11,17H,10H2,1H3/t11-/m0/s1
InChIKeyUYZWWHCERVJWNN-NSHDSACASA-N
XLogP2.40
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(4-ethylphenyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide
CID 94616414
1-(4-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]methanesulfonamide
CID 43908400
1-(4-fluorophenyl)-N-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide
CID 40904368
2-chloro-N-[(1S)-1-pyridin-3-ylethyl]ethanesulfonamide
CID 107858694
2-hydroxy-N-(1-pyridin-3-ylethyl)ethanesulfonamide
CID 79588957
1-(4-fluorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 81406480
2-[[(1S)-1-pyridin-3-ylethyl]sulfamoyl]acetic acid
CID 81406791
2-(aminomethyl)-5-fluoro-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 106021137
2,6-difluoro-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 47111106
2-(propan-2-ylamino)-N-(1-pyridin-3-ylethyl)ethanesulfonamide
CID 54972222
(1S)-2-(4-fluorophenyl)-1-pyridin-3-ylethanamine
CID 93422741
1-(4-fluorophenyl)-N-[(2S)-3-methylbutan-2-yl]methanesulfonamide
CID 32674270

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]methanesulfonamide (CID 32677965) is 1-(4-fluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]methanesulfonamide is C[C@H](NS(=O)(=O)Cc1ccc(F)cc1)c1cccnc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]methanesulfonamide?
The InChIKey is UYZWWHCERVJWNN-NSHDSACASA-N. The full InChI is InChI=1S/C14H15FN2O2S/c1-11(13-3-2-8-16-9-13)17-20(18,19)10-12-4-6-14(15)7-5-12/h2-9,11,17H,10H2,1H3/t11-/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]methanesulfonamide?
1-(4-fluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]methanesulfonamide has a molecular weight of 294.35 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]methanesulfonamide is sourced from PubChem (CID 32677965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).