1-(4-fluorophenyl)-N-[2-[(2S)-oxolan-2-yl]ethyl]methanesulfonamide

C13H18FNO3S — CID 31811733

IUPAC1-(4-fluorophenyl)-N-[2-[(2S)-oxolan-2-yl]ethyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NCC[C@@H]1CCCO1
InChIInChI=1S/C13H18FNO3S/c14-12-5-3-11(4-6-12)10-19(16,17)15-8-7-13-2-1-9-18-13/h3-6,13,15H,1-2,7-10H2/t13-/m0/s1
InChIKeyURISXAKHUCRPQJ-ZDUSSCGKSA-N
MW287.36 g/mol
LogP1.81
Rot. Bonds6

About 1-(4-fluorophenyl)-N-[2-[(2S)-oxolan-2-yl]ethyl]methanesulfonamide

1-(4-fluorophenyl)-N-[2-[(2S)-oxolan-2-yl]ethyl]methanesulfonamide (PubChem CID 31811733) has the molecular formula C13H18FNO3S and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[2-[(2S)-oxolan-2-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[2-[(2S)-oxolan-2-yl]ethyl]methanesulfonamide
PubChem CID31811733
Molecular FormulaC13H18FNO3S
Molecular Weight287.36 g/mol
Exact Mass287.10
IUPAC Name1-(4-fluorophenyl)-N-[2-[(2S)-oxolan-2-yl]ethyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NCC[C@@H]1CCCO1
InChIInChI=1S/C13H18FNO3S/c14-12-5-3-11(4-6-12)10-19(16,17)15-8-7-13-2-1-9-18-13/h3-6,13,15H,1-2,7-10H2/t13-/m0/s1
InChIKeyURISXAKHUCRPQJ-ZDUSSCGKSA-N
XLogP1.81
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-butoxypropyl)-1-phenylmethanesulfonamide
CID 2290683
N-(3-ethoxypropyl)-1-phenylmethanesulfonamide
CID 2180838
(Oxolan-2-ylmethyl)[benzylsulfonyl]amine
CID 2853608
1-(2-Fluorophenyl)-N-methyl-N-[(oxolan-3-YL)methyl]methanesulfonamide
CID 91905743
N-[[(2R)-oxolan-2-yl]methyl]-1-phenylmethanesulfonamide
CID 743627
1-(4-fluorophenyl)-N-(tetrahydrofuran-2-ylmethyl)methanesulfonamide
CID 17741064
1-(2-fluorophenyl)-N-(tetrahydrofuran-2-ylmethyl)methanesulfonamide
CID 17741238
1-(4-fluorophenyl)-N-((1-hydroxycyclopentyl)methyl)methanesulfonamide
CID 49670562
N-(1,4-dioxaspiro[4.5]decan-2-ylmethyl)-1-(3-fluorophenyl)methanesulfonamide
CID 49748697
1-(oxolan-3-yl)-N-(4-phenylbutan-2-yl)methanesulfonamide
CID 53544520
N-[cyclopropyl-(2,5-difluorophenyl)methyl]-2-(oxolan-2-yl)ethanesulfonamide
CID 71851161
N-[(2S)-1-(3-fluorophenyl)propan-2-yl]-1-(oxan-4-yl)methanesulfonamide
CID 100625473

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[2-[(2S)-oxolan-2-yl]ethyl]methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[2-[(2S)-oxolan-2-yl]ethyl]methanesulfonamide (CID 31811733) is 1-(4-fluorophenyl)-N-[2-[(2S)-oxolan-2-yl]ethyl]methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[2-[(2S)-oxolan-2-yl]ethyl]methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[2-[(2S)-oxolan-2-yl]ethyl]methanesulfonamide is O=S(=O)(Cc1ccc(F)cc1)NCC[C@@H]1CCCO1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[2-[(2S)-oxolan-2-yl]ethyl]methanesulfonamide?
The InChIKey is URISXAKHUCRPQJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H18FNO3S/c14-12-5-3-11(4-6-12)10-19(16,17)15-8-7-13-2-1-9-18-13/h3-6,13,15H,1-2,7-10H2/t13-/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-N-[2-[(2S)-oxolan-2-yl]ethyl]methanesulfonamide?
1-(4-fluorophenyl)-N-[2-[(2S)-oxolan-2-yl]ethyl]methanesulfonamide has a molecular weight of 287.36 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[2-[(2S)-oxolan-2-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 31811733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).