4-fluoro-2-methyl-N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide

C19H18FNO4S3 — CID 44648994

IUPAC4-fluoro-2-methyl-N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCC(c1ccccc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C19H18FNO4S3/c1-14-12-16(20)9-10-17(14)28(24,25)21-13-18(15-6-3-2-4-7-15)27(22,23)19-8-5-11-26-19/h2-12,18,21H,13H2,1H3
InChIKeyXSQCYCCDTYFOGK-UHFFFAOYSA-N
MW439.56 g/mol
LogP3.69
Rot. Bonds7

About 4-fluoro-2-methyl-N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide

4-fluoro-2-methyl-N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide (PubChem CID 44648994) has the molecular formula C19H18FNO4S3 and a molecular weight of 439.56 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide
PubChem CID44648994
Molecular FormulaC19H18FNO4S3
Molecular Weight439.56 g/mol
Exact Mass439.04
IUPAC Name4-fluoro-2-methyl-N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCC(c1ccccc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C19H18FNO4S3/c1-14-12-16(20)9-10-17(14)28(24,25)21-13-18(15-6-3-2-4-7-15)27(22,23)19-8-5-11-26-19/h2-12,18,21H,13H2,1H3
InChIKeyXSQCYCCDTYFOGK-UHFFFAOYSA-N
XLogP3.69
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 51449275
N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-3,4-dimethylbenzenesulfonamide
CID 51449246
2-chloro-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
CID 51662811
N-[(2R)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 51662831
4-tert-butyl-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
CID 51662803
N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]methanesulfonamide
CID 44649354
2,5-difluoro-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide
CID 16829668
N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-2,5-dimethoxybenzenesulfonamide
CID 44649372
4-ethyl-N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
CID 50753608
N-[2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 20995722
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 41193593
N-(ethylsulfamoyl)-2-phenyl-2-thiophen-2-ylsulfonylethanamine
CID 110605719

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-2-methyl-N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide (CID 44648994) is 4-fluoro-2-methyl-N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methyl-N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)NCC(c1ccccc1)S(=O)(=O)c1cccs1.
What is the InChIKey of 4-fluoro-2-methyl-N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide?
The InChIKey is XSQCYCCDTYFOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO4S3/c1-14-12-16(20)9-10-17(14)28(24,25)21-13-18(15-6-3-2-4-7-15)27(22,23)19-8-5-11-26-19/h2-12,18,21H,13H2,1H3.
What are the key properties of 4-fluoro-2-methyl-N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide?
4-fluoro-2-methyl-N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide has a molecular weight of 439.56 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide is sourced from PubChem (CID 44648994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).