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

C13H18FNO3S — CID 35611864

IUPAC1-(4-fluorophenyl)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]methanesulfonamide
SMILESC[C@@H](NS(=O)(=O)Cc1ccc(F)cc1)[C@@H]1CCCO1
InChIInChI=1S/C13H18FNO3S/c1-10(13-3-2-8-18-13)15-19(16,17)9-11-4-6-12(14)7-5-11/h4-7,10,13,15H,2-3,8-9H2,1H3/t10-,13+/m1/s1
InChIKeyJFYRWTQKHINBBR-MFKMUULPSA-N
MW287.36 g/mol
LogP1.81
Rot. Bonds5

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

1-(4-fluorophenyl)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]methanesulfonamide (PubChem CID 35611864) has the molecular formula C13H18FNO3S and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]methanesulfonamide
PubChem CID35611864
Molecular FormulaC13H18FNO3S
Molecular Weight287.36 g/mol
Exact Mass287.10
IUPAC Name1-(4-fluorophenyl)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]methanesulfonamide
SMILESC[C@@H](NS(=O)(=O)Cc1ccc(F)cc1)[C@@H]1CCCO1
InChIInChI=1S/C13H18FNO3S/c1-10(13-3-2-8-18-13)15-19(16,17)9-11-4-6-12(14)7-5-11/h4-7,10,13,15H,2-3,8-9H2,1H3/t10-,13+/m1/s1
InChIKeyJFYRWTQKHINBBR-MFKMUULPSA-N
XLogP1.81
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

2-methyl-N-(tetrahydro-2-furanylmethyl)benzenesulfonamide
CID 11839503
4-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3113401
3-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3686380
(Oxolan-2-ylmethyl)[benzylsulfonyl]amine
CID 2853608
3,4-difluoro-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 22201362
N-(1-methoxypropan-2-yl)-1-phenylmethanesulfonamide
CID 2905166
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-(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-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]methanesulfonamide (CID 35611864) is 1-(4-fluorophenyl)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]methanesulfonamide is C[C@@H](NS(=O)(=O)Cc1ccc(F)cc1)[C@@H]1CCCO1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]methanesulfonamide?
The InChIKey is JFYRWTQKHINBBR-MFKMUULPSA-N. The full InChI is InChI=1S/C13H18FNO3S/c1-10(13-3-2-8-18-13)15-19(16,17)9-11-4-6-12(14)7-5-11/h4-7,10,13,15H,2-3,8-9H2,1H3/t10-,13+/m1/s1.
What are the key properties of 1-(4-fluorophenyl)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]methanesulfonamide?
1-(4-fluorophenyl)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]methanesulfonamide has a molecular weight of 287.36 g/mol, XLogP of 1.81, 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-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 35611864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).