2-amino-N-[(5-ethylthiophen-2-yl)methyl]-4-fluorobenzenesulfonamide

C13H15FN2O2S2 — CID 106006794

IUPAC2-amino-N-[(5-ethylthiophen-2-yl)methyl]-4-fluorobenzenesulfonamide
SMILESCCc1ccc(CNS(=O)(=O)c2ccc(F)cc2N)s1
InChIInChI=1S/C13H15FN2O2S2/c1-2-10-4-5-11(19-10)8-16-20(17,18)13-6-3-9(14)7-12(13)15/h3-7,16H,2,8,15H2,1H3
InChIKeyZKPLMAYSRNHCSM-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.51
Rot. Bonds5

About 2-amino-N-[(5-ethylthiophen-2-yl)methyl]-4-fluorobenzenesulfonamide

2-amino-N-[(5-ethylthiophen-2-yl)methyl]-4-fluorobenzenesulfonamide (PubChem CID 106006794) has the molecular formula C13H15FN2O2S2 and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-amino-N-[(5-ethylthiophen-2-yl)methyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-[(5-ethylthiophen-2-yl)methyl]-4-fluorobenzenesulfonamide
PubChem CID106006794
Molecular FormulaC13H15FN2O2S2
Molecular Weight314.41 g/mol
Exact Mass314.06
IUPAC Name2-amino-N-[(5-ethylthiophen-2-yl)methyl]-4-fluorobenzenesulfonamide
SMILESCCc1ccc(CNS(=O)(=O)c2ccc(F)cc2N)s1
InChIInChI=1S/C13H15FN2O2S2/c1-2-10-4-5-11(19-10)8-16-20(17,18)13-6-3-9(14)7-12(13)15/h3-7,16H,2,8,15H2,1H3
InChIKeyZKPLMAYSRNHCSM-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

2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-fluorobenzenesulfonamide
CID 61127561
5-amino-4-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-fluorobenzenesulfonamide
CID 106006764
5-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-fluoro-3-methylbenzenesulfonamide
CID 106006763
4-amino-2-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
CID 106006773
3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2,5-dimethylbenzenesulfonamide
CID 106006813
2-amino-5-chloro-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
CID 106006795
5-amino-3-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-fluorobenzenesulfonamide
CID 106006837
5-amino-2-ethyl-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
CID 106006826
3-amino-5-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-methylbenzenesulfonamide
CID 106006788
2-amino-N-(2,2-dimethylbutyl)-4-fluorobenzenesulfonamide
CID 103460021
2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-4-fluorobenzenesulfonamide
CID 106035109
2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluorobenzenesulfonamide
CID 106369275

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(5-ethylthiophen-2-yl)methyl]-4-fluorobenzenesulfonamide?
The IUPAC name of 2-amino-N-[(5-ethylthiophen-2-yl)methyl]-4-fluorobenzenesulfonamide (CID 106006794) is 2-amino-N-[(5-ethylthiophen-2-yl)methyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for 2-amino-N-[(5-ethylthiophen-2-yl)methyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for 2-amino-N-[(5-ethylthiophen-2-yl)methyl]-4-fluorobenzenesulfonamide is CCc1ccc(CNS(=O)(=O)c2ccc(F)cc2N)s1.
What is the InChIKey of 2-amino-N-[(5-ethylthiophen-2-yl)methyl]-4-fluorobenzenesulfonamide?
The InChIKey is ZKPLMAYSRNHCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2S2/c1-2-10-4-5-11(19-10)8-16-20(17,18)13-6-3-9(14)7-12(13)15/h3-7,16H,2,8,15H2,1H3.
What are the key properties of 2-amino-N-[(5-ethylthiophen-2-yl)methyl]-4-fluorobenzenesulfonamide?
2-amino-N-[(5-ethylthiophen-2-yl)methyl]-4-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 2-amino-N-[(5-ethylthiophen-2-yl)methyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 106006794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).