3,4-difluoro-N-[phenyl(thiophen-2-yl)methyl]benzenesulfonamide

C17H13F2NO2S2 — CID 42890133

IUPAC3,4-difluoro-N-[phenyl(thiophen-2-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NC(c1ccccc1)c1cccs1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H13F2NO2S2/c18-14-9-8-13(11-15(14)19)24(21,22)20-17(16-7-4-10-23-16)12-5-2-1-3-6-12/h1-11,17,20H
InChIKeySQUQLZDXUJIALK-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.09
Rot. Bonds5

About 3,4-difluoro-N-[phenyl(thiophen-2-yl)methyl]benzenesulfonamide

3,4-difluoro-N-[phenyl(thiophen-2-yl)methyl]benzenesulfonamide (PubChem CID 42890133) has the molecular formula C17H13F2NO2S2 and a molecular weight of 365.43 g/mol. Its IUPAC name is 3,4-difluoro-N-[phenyl(thiophen-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-[phenyl(thiophen-2-yl)methyl]benzenesulfonamide
PubChem CID42890133
Molecular FormulaC17H13F2NO2S2
Molecular Weight365.43 g/mol
Exact Mass365.04
IUPAC Name3,4-difluoro-N-[phenyl(thiophen-2-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NC(c1ccccc1)c1cccs1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H13F2NO2S2/c18-14-9-8-13(11-15(14)19)24(21,22)20-17(16-7-4-10-23-16)12-5-2-1-3-6-12/h1-11,17,20H
InChIKeySQUQLZDXUJIALK-UHFFFAOYSA-N
XLogP4.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[phenyl(thiophen-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-[phenyl(thiophen-2-yl)methyl]benzenesulfonamide (CID 42890133) is 3,4-difluoro-N-[phenyl(thiophen-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-[phenyl(thiophen-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-[phenyl(thiophen-2-yl)methyl]benzenesulfonamide is O=S(=O)(NC(c1ccccc1)c1cccs1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[phenyl(thiophen-2-yl)methyl]benzenesulfonamide?
The InChIKey is SQUQLZDXUJIALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2NO2S2/c18-14-9-8-13(11-15(14)19)24(21,22)20-17(16-7-4-10-23-16)12-5-2-1-3-6-12/h1-11,17,20H.
What are the key properties of 3,4-difluoro-N-[phenyl(thiophen-2-yl)methyl]benzenesulfonamide?
3,4-difluoro-N-[phenyl(thiophen-2-yl)methyl]benzenesulfonamide has a molecular weight of 365.43 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[phenyl(thiophen-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 42890133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).