4-amino-N-[(3-ethylthiophen-2-yl)methyl]-3-fluorobenzenesulfonamide

C13H15FN2O2S2 — CID 82844047

IUPAC4-amino-N-[(3-ethylthiophen-2-yl)methyl]-3-fluorobenzenesulfonamide
SMILESCCc1ccsc1CNS(=O)(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C13H15FN2O2S2/c1-2-9-5-6-19-13(9)8-16-20(17,18)10-3-4-12(15)11(14)7-10/h3-7,16H,2,8,15H2,1H3
InChIKeyKPJWDZJMXLDCPC-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.51
Rot. Bonds5

About 4-amino-N-[(3-ethylthiophen-2-yl)methyl]-3-fluorobenzenesulfonamide

4-amino-N-[(3-ethylthiophen-2-yl)methyl]-3-fluorobenzenesulfonamide (PubChem CID 82844047) has the molecular formula C13H15FN2O2S2 and a molecular weight of 314.41 g/mol. Its IUPAC name is 4-amino-N-[(3-ethylthiophen-2-yl)methyl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[(3-ethylthiophen-2-yl)methyl]-3-fluorobenzenesulfonamide
PubChem CID82844047
Molecular FormulaC13H15FN2O2S2
Molecular Weight314.41 g/mol
Exact Mass314.06
IUPAC Name4-amino-N-[(3-ethylthiophen-2-yl)methyl]-3-fluorobenzenesulfonamide
SMILESCCc1ccsc1CNS(=O)(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C13H15FN2O2S2/c1-2-9-5-6-19-13(9)8-16-20(17,18)10-3-4-12(15)11(14)7-10/h3-7,16H,2,8,15H2,1H3
InChIKeyKPJWDZJMXLDCPC-UHFFFAOYSA-N
XLogP2.51
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-ethylthiophen-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422281
4-amino-3-fluoro-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 82843640
4-amino-3-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 82843843
3-amino-5-bromo-N-[(3-ethylthiophen-2-yl)methyl]-2-methylbenzenesulfonamide
CID 114379930
4-amino-N-[(1-ethylcyclopropyl)methyl]-3-fluorobenzenesulfonamide
CID 114099078
4-amino-3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 82844642
4-amino-N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzenesulfonamide
CID 82843587
4-amino-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide
CID 106333528
4-amino-3-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82844185
4-amino-3-fluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 82844340
4-amino-3-fluoro-N-(2-methylpentan-2-yl)benzenesulfonamide
CID 113471557
methyl 2-[(4-amino-3-fluorophenyl)sulfonylamino]acetate
CID 82844762

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3-ethylthiophen-2-yl)methyl]-3-fluorobenzenesulfonamide?
The IUPAC name of 4-amino-N-[(3-ethylthiophen-2-yl)methyl]-3-fluorobenzenesulfonamide (CID 82844047) is 4-amino-N-[(3-ethylthiophen-2-yl)methyl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-amino-N-[(3-ethylthiophen-2-yl)methyl]-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-amino-N-[(3-ethylthiophen-2-yl)methyl]-3-fluorobenzenesulfonamide is CCc1ccsc1CNS(=O)(=O)c1ccc(N)c(F)c1.
What is the InChIKey of 4-amino-N-[(3-ethylthiophen-2-yl)methyl]-3-fluorobenzenesulfonamide?
The InChIKey is KPJWDZJMXLDCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2S2/c1-2-9-5-6-19-13(9)8-16-20(17,18)10-3-4-12(15)11(14)7-10/h3-7,16H,2,8,15H2,1H3.
What are the key properties of 4-amino-N-[(3-ethylthiophen-2-yl)methyl]-3-fluorobenzenesulfonamide?
4-amino-N-[(3-ethylthiophen-2-yl)methyl]-3-fluorobenzenesulfonamide has a molecular weight of 314.41 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3-ethylthiophen-2-yl)methyl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 82844047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).