3-amino-5-fluoro-4-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide

C13H15FN2O2S2 — CID 116791823

IUPAC3-amino-5-fluoro-4-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
SMILESCc1c(N)cc(S(=O)(=O)NC(C)c2ccsc2)cc1F
InChIInChI=1S/C13H15FN2O2S2/c1-8-12(14)5-11(6-13(8)15)20(17,18)16-9(2)10-3-4-19-7-10/h3-7,9,16H,15H2,1-2H3
InChIKeySTJJACDPKIWCLF-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.82
Rot. Bonds4

About 3-amino-5-fluoro-4-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide

3-amino-5-fluoro-4-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide (PubChem CID 116791823) has the molecular formula C13H15FN2O2S2 and a molecular weight of 314.41 g/mol. Its IUPAC name is 3-amino-5-fluoro-4-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-fluoro-4-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
PubChem CID116791823
Molecular FormulaC13H15FN2O2S2
Molecular Weight314.41 g/mol
Exact Mass314.06
IUPAC Name3-amino-5-fluoro-4-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
SMILESCc1c(N)cc(S(=O)(=O)NC(C)c2ccsc2)cc1F
InChIInChI=1S/C13H15FN2O2S2/c1-8-12(14)5-11(6-13(8)15)20(17,18)16-9(2)10-3-4-19-7-10/h3-7,9,16H,15H2,1-2H3
InChIKeySTJJACDPKIWCLF-UHFFFAOYSA-N
XLogP2.82
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.82
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

3-amino-5-fluoro-4-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 116791724
5-amino-2,3-dimethyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62841485
4-[1-(methylamino)ethyl]-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62844597
4-fluoro-2,6-dimethyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 107327103
4-(methylamino)-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 55130085
3-amino-5-fluoro-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 116792150
4-bromo-3-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62844268
4-bromo-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62844441
3-amino-N-(3-ethylpentan-2-yl)-5-fluoro-4-methylbenzenesulfonamide
CID 116791888
2-amino-4,6-dichloro-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62842182
5-amino-2-methoxy-4-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 79962257
2-methyl-5-(1-thiophen-3-ylethylsulfamoyl)benzoic acid
CID 62841892

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-4-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide?
The IUPAC name of 3-amino-5-fluoro-4-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide (CID 116791823) is 3-amino-5-fluoro-4-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-fluoro-4-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-5-fluoro-4-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide is Cc1c(N)cc(S(=O)(=O)NC(C)c2ccsc2)cc1F.
What is the InChIKey of 3-amino-5-fluoro-4-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide?
The InChIKey is STJJACDPKIWCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2S2/c1-8-12(14)5-11(6-13(8)15)20(17,18)16-9(2)10-3-4-19-7-10/h3-7,9,16H,15H2,1-2H3.
What are the key properties of 3-amino-5-fluoro-4-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide?
3-amino-5-fluoro-4-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide has a molecular weight of 314.41 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-4-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 116791823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).