1-(2,5-difluorophenyl)-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)methanesulfonamide

C15H17F2NO3S2 — CID 71796685

IUPAC1-(2,5-difluorophenyl)-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)methanesulfonamide
SMILESCOCCN(Cc1ccsc1)S(=O)(=O)Cc1cc(F)ccc1F
InChIInChI=1S/C15H17F2NO3S2/c1-21-6-5-18(9-12-4-7-22-10-12)23(19,20)11-13-8-14(16)2-3-15(13)17/h2-4,7-8,10H,5-6,9,11H2,1H3
InChIKeyXOMGYOIBPGXRHS-UHFFFAOYSA-N
MW361.44 g/mol
LogP3.00
Rot. Bonds8

About 1-(2,5-difluorophenyl)-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)methanesulfonamide

1-(2,5-difluorophenyl)-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)methanesulfonamide (PubChem CID 71796685) has the molecular formula C15H17F2NO3S2 and a molecular weight of 361.44 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)methanesulfonamide
PubChem CID71796685
Molecular FormulaC15H17F2NO3S2
Molecular Weight361.44 g/mol
Exact Mass361.06
IUPAC Name1-(2,5-difluorophenyl)-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)methanesulfonamide
SMILESCOCCN(Cc1ccsc1)S(=O)(=O)Cc1cc(F)ccc1F
InChIInChI=1S/C15H17F2NO3S2/c1-21-6-5-18(9-12-4-7-22-10-12)23(19,20)11-13-8-14(16)2-3-15(13)17/h2-4,7-8,10H,5-6,9,11H2,1H3
InChIKeyXOMGYOIBPGXRHS-UHFFFAOYSA-N
XLogP3.00
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)methanesulfonamide?
The IUPAC name of 1-(2,5-difluorophenyl)-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)methanesulfonamide (CID 71796685) is 1-(2,5-difluorophenyl)-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-(2,5-difluorophenyl)-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)methanesulfonamide is COCCN(Cc1ccsc1)S(=O)(=O)Cc1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)methanesulfonamide?
The InChIKey is XOMGYOIBPGXRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO3S2/c1-21-6-5-18(9-12-4-7-22-10-12)23(19,20)11-13-8-14(16)2-3-15(13)17/h2-4,7-8,10H,5-6,9,11H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)methanesulfonamide?
1-(2,5-difluorophenyl)-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)methanesulfonamide has a molecular weight of 361.44 g/mol, XLogP of 3.00, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)methanesulfonamide is sourced from PubChem (CID 71796685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).