1-(3,5-difluorophenyl)-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]methanesulfonamide

C14H15F2NO3S2 — CID 97414493

IUPAC1-(3,5-difluorophenyl)-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]methanesulfonamide
SMILESCO[C@@H](CNS(=O)(=O)Cc1cc(F)cc(F)c1)c1ccsc1
InChIInChI=1S/C14H15F2NO3S2/c1-20-14(11-2-3-21-8-11)7-17-22(18,19)9-10-4-12(15)6-13(16)5-10/h2-6,8,14,17H,7,9H2,1H3/t14-/m0/s1
InChIKeyVMDDTBIVSDAPLO-AWEZNQCLSA-N
MW347.41 g/mol
LogP2.83
Rot. Bonds7

About 1-(3,5-difluorophenyl)-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]methanesulfonamide

1-(3,5-difluorophenyl)-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]methanesulfonamide (PubChem CID 97414493) has the molecular formula C14H15F2NO3S2 and a molecular weight of 347.41 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]methanesulfonamide
PubChem CID97414493
Molecular FormulaC14H15F2NO3S2
Molecular Weight347.41 g/mol
Exact Mass347.05
IUPAC Name1-(3,5-difluorophenyl)-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]methanesulfonamide
SMILESCO[C@@H](CNS(=O)(=O)Cc1cc(F)cc(F)c1)c1ccsc1
InChIInChI=1S/C14H15F2NO3S2/c1-20-14(11-2-3-21-8-11)7-17-22(18,19)9-10-4-12(15)6-13(16)5-10/h2-6,8,14,17H,7,9H2,1H3/t14-/m0/s1
InChIKeyVMDDTBIVSDAPLO-AWEZNQCLSA-N
XLogP2.83
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-(2-hydroxy-2-(3-methylthiophen-2-yl)ethyl)-3-methylbenzenesulfonamide
CID 56764044
1-(4-fluorophenyl)-N-(2-hydroxy-2-(3-methylthiophen-2-yl)ethyl)methanesulfonamide
CID 56764045
1-(3,5-Difluorophenyl)-N-[2-methoxy-2-(thiophen-3-YL)ethyl]methanesulfonamide
CID 71804783
N-[2-(3-fluorophenyl)-2-methoxyethyl]-5-methylthiophene-2-sulfonamide
CID 73168429
N-(3-hydroxy-3-(thiophen-3-yl)propyl)-3-(trifluoromethyl)benzenesulfonamide
CID 86264144
(4-fluoro-2-tolylsulfonyl)[(R)-2-methoxy-2-(3-thienyl)ethyl]amine
CID 97414469
[(R)-2-methoxy-2-(3-thienyl)ethyl][m-(trifluoromethyl)phenylsulfonyl]amine
CID 97414489
(o-fluorophenylsulfonyl)[(S)-2-methoxy-2-(5-methyl-2-thienyl)ethyl]amine
CID 97417510
[(S)-2-methoxy-2-(5-methyl-2-thienyl)ethyl][p-(trifluoromethyl)phenylsulfonyl]amine
CID 97417526
[(S)-2-(5-chloro-2-thienyl)-2-methoxyethyl][(2,5-difluorophenyl)methylsulfonyl]amine
CID 100729745
N-(2-methoxy-2-(thiophen-3-yl)ethyl)methanesulfonamide
CID 71804766
1-(2-Chlorophenyl)-N-[2-methoxy-2-(thiophen-3-YL)ethyl]methanesulfonamide
CID 71804775

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]methanesulfonamide?
The IUPAC name of 1-(3,5-difluorophenyl)-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]methanesulfonamide (CID 97414493) is 1-(3,5-difluorophenyl)-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]methanesulfonamide.
What is the SMILES notation for 1-(3,5-difluorophenyl)-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]methanesulfonamide?
The canonical SMILES for 1-(3,5-difluorophenyl)-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]methanesulfonamide is CO[C@@H](CNS(=O)(=O)Cc1cc(F)cc(F)c1)c1ccsc1.
What is the InChIKey of 1-(3,5-difluorophenyl)-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]methanesulfonamide?
The InChIKey is VMDDTBIVSDAPLO-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H15F2NO3S2/c1-20-14(11-2-3-21-8-11)7-17-22(18,19)9-10-4-12(15)6-13(16)5-10/h2-6,8,14,17H,7,9H2,1H3/t14-/m0/s1.
What are the key properties of 1-(3,5-difluorophenyl)-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]methanesulfonamide?
1-(3,5-difluorophenyl)-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]methanesulfonamide has a molecular weight of 347.41 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]methanesulfonamide is sourced from PubChem (CID 97414493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).