2-[4-(3,5-difluoro-4-methylsulfonylphenyl)thiophen-3-yl]-6-methylpyridine

C17H13F2NO2S2 — CID 22746010

IUPAC2-[4-(3,5-difluoro-4-methylsulfonylphenyl)thiophen-3-yl]-6-methylpyridine
SMILESCc1cccc(-c2cscc2-c2cc(F)c(S(C)(=O)=O)c(F)c2)n1
InChIInChI=1S/C17H13F2NO2S2/c1-10-4-3-5-16(20-10)13-9-23-8-12(13)11-6-14(18)17(15(19)7-11)24(2,21)22/h3-9H,1-2H3
InChIKeyBCNXVPZNKVVEQB-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.47
Rot. Bonds3

About 2-[4-(3,5-difluoro-4-methylsulfonylphenyl)thiophen-3-yl]-6-methylpyridine

2-[4-(3,5-difluoro-4-methylsulfonylphenyl)thiophen-3-yl]-6-methylpyridine (PubChem CID 22746010) has the molecular formula C17H13F2NO2S2 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-[4-(3,5-difluoro-4-methylsulfonylphenyl)thiophen-3-yl]-6-methylpyridine.

Molecular Properties

Compound Name2-[4-(3,5-difluoro-4-methylsulfonylphenyl)thiophen-3-yl]-6-methylpyridine
PubChem CID22746010
Molecular FormulaC17H13F2NO2S2
Molecular Weight365.43 g/mol
Exact Mass365.04
IUPAC Name2-[4-(3,5-difluoro-4-methylsulfonylphenyl)thiophen-3-yl]-6-methylpyridine
SMILESCc1cccc(-c2cscc2-c2cc(F)c(S(C)(=O)=O)c(F)c2)n1
InChIInChI=1S/C17H13F2NO2S2/c1-10-4-3-5-16(20-10)13-9-23-8-12(13)11-6-14(18)17(15(19)7-11)24(2,21)22/h3-9H,1-2H3
InChIKeyBCNXVPZNKVVEQB-UHFFFAOYSA-N
XLogP4.47
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-difluoro-4-methylsulfonylphenyl)thiophen-3-yl]-6-methylpyridine?
The IUPAC name of 2-[4-(3,5-difluoro-4-methylsulfonylphenyl)thiophen-3-yl]-6-methylpyridine (CID 22746010) is 2-[4-(3,5-difluoro-4-methylsulfonylphenyl)thiophen-3-yl]-6-methylpyridine.
What is the SMILES notation for 2-[4-(3,5-difluoro-4-methylsulfonylphenyl)thiophen-3-yl]-6-methylpyridine?
The canonical SMILES for 2-[4-(3,5-difluoro-4-methylsulfonylphenyl)thiophen-3-yl]-6-methylpyridine is Cc1cccc(-c2cscc2-c2cc(F)c(S(C)(=O)=O)c(F)c2)n1.
What is the InChIKey of 2-[4-(3,5-difluoro-4-methylsulfonylphenyl)thiophen-3-yl]-6-methylpyridine?
The InChIKey is BCNXVPZNKVVEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2NO2S2/c1-10-4-3-5-16(20-10)13-9-23-8-12(13)11-6-14(18)17(15(19)7-11)24(2,21)22/h3-9H,1-2H3.
What are the key properties of 2-[4-(3,5-difluoro-4-methylsulfonylphenyl)thiophen-3-yl]-6-methylpyridine?
2-[4-(3,5-difluoro-4-methylsulfonylphenyl)thiophen-3-yl]-6-methylpyridine has a molecular weight of 365.43 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-difluoro-4-methylsulfonylphenyl)thiophen-3-yl]-6-methylpyridine is sourced from PubChem (CID 22746010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).