3-amino-5-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide

C13H15FN2O2S2 — CID 79475968

IUPAC3-amino-5-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESCN(CCc1cccs1)S(=O)(=O)c1cc(N)cc(F)c1
InChIInChI=1S/C13H15FN2O2S2/c1-16(5-4-12-3-2-6-19-12)20(17,18)13-8-10(14)7-11(15)9-13/h2-3,6-9H,4-5,15H2,1H3
InChIKeyHPMDFDIFDDHVKX-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.33
Rot. Bonds5

About 3-amino-5-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide

3-amino-5-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide (PubChem CID 79475968) has the molecular formula C13H15FN2O2S2 and a molecular weight of 314.41 g/mol. Its IUPAC name is 3-amino-5-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
PubChem CID79475968
Molecular FormulaC13H15FN2O2S2
Molecular Weight314.41 g/mol
Exact Mass314.06
IUPAC Name3-amino-5-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESCN(CCc1cccs1)S(=O)(=O)c1cc(N)cc(F)c1
InChIInChI=1S/C13H15FN2O2S2/c1-16(5-4-12-3-2-6-19-12)20(17,18)13-8-10(14)7-11(15)9-13/h2-3,6-9H,4-5,15H2,1H3
InChIKeyHPMDFDIFDDHVKX-UHFFFAOYSA-N
XLogP2.33
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-5-(thiophen-2-ylmethylsulfonyl)aniline
CID 81184049
5-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide
CID 79488304
3-amino-5-fluoro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 63322045
5-amino-2-bromo-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 79476559
4-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 79494682
4-[methyl(2-thiophen-2-ylethyl)sulfamoyl]benzenecarbothioamide
CID 79491705
3-(hydroxymethyl)-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 79488125
3,4-dimethoxy-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 110733478
N-methyl-3-nitro-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 110733501
2-amino-5-bromo-N-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-sulfonamide
CID 79487909
5-(ethylaminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)-1H-pyrrole-3-sulfonamide
CID 79489710
2-amino-N-methyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide
CID 79019425

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The IUPAC name of 3-amino-5-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide (CID 79475968) is 3-amino-5-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-5-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide is CN(CCc1cccs1)S(=O)(=O)c1cc(N)cc(F)c1.
What is the InChIKey of 3-amino-5-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The InChIKey is HPMDFDIFDDHVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2S2/c1-16(5-4-12-3-2-6-19-12)20(17,18)13-8-10(14)7-11(15)9-13/h2-3,6-9H,4-5,15H2,1H3.
What are the key properties of 3-amino-5-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
3-amino-5-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide has a molecular weight of 314.41 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 79475968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).