4-fluoro-2,6-dimethyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide

C14H16FNO2S2 — CID 107327103

IUPAC4-fluoro-2,6-dimethyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)NC(C)c1ccsc1
InChIInChI=1S/C14H16FNO2S2/c1-9-6-13(15)7-10(2)14(9)20(17,18)16-11(3)12-4-5-19-8-12/h4-8,11,16H,1-3H3
InChIKeyKEYBAENODTUBJJ-UHFFFAOYSA-N
MW313.42 g/mol
LogP3.54
Rot. Bonds4

About 4-fluoro-2,6-dimethyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide

4-fluoro-2,6-dimethyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide (PubChem CID 107327103) has the molecular formula C14H16FNO2S2 and a molecular weight of 313.42 g/mol. Its IUPAC name is 4-fluoro-2,6-dimethyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2,6-dimethyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
PubChem CID107327103
Molecular FormulaC14H16FNO2S2
Molecular Weight313.42 g/mol
Exact Mass313.06
IUPAC Name4-fluoro-2,6-dimethyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)NC(C)c1ccsc1
InChIInChI=1S/C14H16FNO2S2/c1-9-6-13(15)7-10(2)14(9)20(17,18)16-11(3)12-4-5-19-8-12/h4-8,11,16H,1-3H3
InChIKeyKEYBAENODTUBJJ-UHFFFAOYSA-N
XLogP3.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62844268
3,5-dimethyl-N-(1-thiophen-3-ylethyl)-1H-pyrazole-4-sulfonamide
CID 62844265
5-amino-2,3-dimethyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62841485
3-amino-5-fluoro-4-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 116791823
2-amino-4,6-dichloro-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62842182
5-(aminomethyl)-4-methyl-N-(1-thiophen-3-ylethyl)thiophene-2-sulfonamide
CID 106056610
2-methyl-5-(1-thiophen-3-ylethylsulfamoyl)benzoic acid
CID 62841892
4-bromo-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62844441
4-[1-(methylamino)ethyl]-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62844597
4-(methylamino)-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 55130085
5-amino-2-methoxy-4-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 79962257
3-(aminomethyl)-5-methyl-N-(1-thiophen-3-ylethyl)-1H-pyrazole-4-sulfonamide
CID 106056626

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,6-dimethyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-2,6-dimethyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide (CID 107327103) is 4-fluoro-2,6-dimethyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2,6-dimethyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-2,6-dimethyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide is Cc1cc(F)cc(C)c1S(=O)(=O)NC(C)c1ccsc1.
What is the InChIKey of 4-fluoro-2,6-dimethyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide?
The InChIKey is KEYBAENODTUBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2S2/c1-9-6-13(15)7-10(2)14(9)20(17,18)16-11(3)12-4-5-19-8-12/h4-8,11,16H,1-3H3.
What are the key properties of 4-fluoro-2,6-dimethyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide?
4-fluoro-2,6-dimethyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide has a molecular weight of 313.42 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,6-dimethyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 107327103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).