2,5-difluoro-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide

C16H13F2NO4S4 — CID 16829668

IUPAC2,5-difluoro-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(c1cccs1)S(=O)(=O)c1cccs1)c1cc(F)ccc1F
InChIInChI=1S/C16H13F2NO4S4/c17-11-5-6-12(18)14(9-11)27(22,23)19-10-15(13-3-1-7-24-13)26(20,21)16-4-2-8-25-16/h1-9,15,19H,10H2
InChIKeyLRLNAVPFBBECQD-UHFFFAOYSA-N
MW449.55 g/mol
LogP3.58
Rot. Bonds7

About 2,5-difluoro-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide

2,5-difluoro-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide (PubChem CID 16829668) has the molecular formula C16H13F2NO4S4 and a molecular weight of 449.55 g/mol. Its IUPAC name is 2,5-difluoro-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide
PubChem CID16829668
Molecular FormulaC16H13F2NO4S4
Molecular Weight449.55 g/mol
Exact Mass448.97
IUPAC Name2,5-difluoro-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(c1cccs1)S(=O)(=O)c1cccs1)c1cc(F)ccc1F
InChIInChI=1S/C16H13F2NO4S4/c17-11-5-6-12(18)14(9-11)27(22,23)19-10-15(13-3-1-7-24-13)26(20,21)16-4-2-8-25-16/h1-9,15,19H,10H2
InChIKeyLRLNAVPFBBECQD-UHFFFAOYSA-N
XLogP3.58
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-3-methyl-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide
CID 18574253
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 41193593
4-fluoro-2-methyl-N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide
CID 44648994
5-fluoro-N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-2-methoxybenzenesulfonamide
CID 40775212
N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-4-fluorobenzenesulfonamide
CID 16829653
2,5-difluoro-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 30835869
2,5-difluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 40753479
3-chloro-N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
CID 51449272
N-[(2S)-2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 41193831
N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-2,5-dimethoxybenzenesulfonamide
CID 44649372
N-[(2R)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 51449275
4-ethyl-N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
CID 50753608

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide (CID 16829668) is 2,5-difluoro-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide is O=S(=O)(NCC(c1cccs1)S(=O)(=O)c1cccs1)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide?
The InChIKey is LRLNAVPFBBECQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO4S4/c17-11-5-6-12(18)14(9-11)27(22,23)19-10-15(13-3-1-7-24-13)26(20,21)16-4-2-8-25-16/h1-9,15,19H,10H2.
What are the key properties of 2,5-difluoro-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide?
2,5-difluoro-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide has a molecular weight of 449.55 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide is sourced from PubChem (CID 16829668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).