1-(2,5-difluorophenyl)-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]methanesulfonamide

C16H13F2N3O2S2 — CID 122277055

IUPAC1-(2,5-difluorophenyl)-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]methanesulfonamide
SMILESO=S(=O)(Cc1cc(F)ccc1F)NCc1nccnc1-c1ccsc1
InChIInChI=1S/C16H13F2N3O2S2/c17-13-1-2-14(18)12(7-13)10-25(22,23)21-8-15-16(20-5-4-19-15)11-3-6-24-9-11/h1-7,9,21H,8,10H2
InChIKeyKZLWIICINHQFBP-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.10
Rot. Bonds6

About 1-(2,5-difluorophenyl)-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]methanesulfonamide

1-(2,5-difluorophenyl)-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]methanesulfonamide (PubChem CID 122277055) has the molecular formula C16H13F2N3O2S2 and a molecular weight of 381.43 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]methanesulfonamide
PubChem CID122277055
Molecular FormulaC16H13F2N3O2S2
Molecular Weight381.43 g/mol
Exact Mass381.04
IUPAC Name1-(2,5-difluorophenyl)-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]methanesulfonamide
SMILESO=S(=O)(Cc1cc(F)ccc1F)NCc1nccnc1-c1ccsc1
InChIInChI=1S/C16H13F2N3O2S2/c17-13-1-2-14(18)12(7-13)10-25(22,23)21-8-15-16(20-5-4-19-15)11-3-6-24-9-11/h1-7,9,21H,8,10H2
InChIKeyKZLWIICINHQFBP-UHFFFAOYSA-N
XLogP3.10
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(2,5-difluorophenyl)-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]methanesulfonamide (CID 122277055) is 1-(2,5-difluorophenyl)-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(2,5-difluorophenyl)-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]methanesulfonamide is O=S(=O)(Cc1cc(F)ccc1F)NCc1nccnc1-c1ccsc1.
What is the InChIKey of 1-(2,5-difluorophenyl)-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]methanesulfonamide?
The InChIKey is KZLWIICINHQFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O2S2/c17-13-1-2-14(18)12(7-13)10-25(22,23)21-8-15-16(20-5-4-19-15)11-3-6-24-9-11/h1-7,9,21H,8,10H2.
What are the key properties of 1-(2,5-difluorophenyl)-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]methanesulfonamide?
1-(2,5-difluorophenyl)-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]methanesulfonamide has a molecular weight of 381.43 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]methanesulfonamide is sourced from PubChem (CID 122277055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).