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

C14H15F2NO3S2 — CID 71804783

IUPAC1-(3,5-difluorophenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)methanesulfonamide
SMILESCOC(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
InChIKeyVMDDTBIVSDAPLO-UHFFFAOYSA-N
MW347.41 g/mol
LogP2.83
Rot. Bonds7

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

1-(3,5-difluorophenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)methanesulfonamide (PubChem CID 71804783) has the molecular formula C14H15F2NO3S2 and a molecular weight of 347.41 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)methanesulfonamide
PubChem CID71804783
Molecular FormulaC14H15F2NO3S2
Molecular Weight347.41 g/mol
Exact Mass347.05
IUPAC Name1-(3,5-difluorophenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)methanesulfonamide
SMILESCOC(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
InChIKeyVMDDTBIVSDAPLO-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)methanesulfonamide?
The IUPAC name of 1-(3,5-difluorophenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)methanesulfonamide (CID 71804783) is 1-(3,5-difluorophenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)methanesulfonamide.
What is the SMILES notation for 1-(3,5-difluorophenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)methanesulfonamide?
The canonical SMILES for 1-(3,5-difluorophenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)methanesulfonamide is COC(CNS(=O)(=O)Cc1cc(F)cc(F)c1)c1ccsc1.
What is the InChIKey of 1-(3,5-difluorophenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)methanesulfonamide?
The InChIKey is VMDDTBIVSDAPLO-UHFFFAOYSA-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.
What are the key properties of 1-(3,5-difluorophenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)methanesulfonamide?
1-(3,5-difluorophenyl)-N-(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-(2-methoxy-2-thiophen-3-ylethyl)methanesulfonamide is sourced from PubChem (CID 71804783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).