N-[2-(3-fluorophenyl)-2-methoxyethyl]-5-methylthiophene-2-sulfonamide

C14H16FNO3S2 — CID 73168429

IUPACN-[2-(3-fluorophenyl)-2-methoxyethyl]-5-methylthiophene-2-sulfonamide
SMILESCOC(CNS(=O)(=O)c1ccc(C)s1)c1cccc(F)c1
InChIInChI=1S/C14H16FNO3S2/c1-10-6-7-14(20-10)21(17,18)16-9-13(19-2)11-4-3-5-12(15)8-11/h3-8,13,16H,9H2,1-2H3
InChIKeyIFXJNHPUSZOQJD-UHFFFAOYSA-N
MW329.42 g/mol
LogP2.86
Rot. Bonds6

About N-[2-(3-fluorophenyl)-2-methoxyethyl]-5-methylthiophene-2-sulfonamide

N-[2-(3-fluorophenyl)-2-methoxyethyl]-5-methylthiophene-2-sulfonamide (PubChem CID 73168429) has the molecular formula C14H16FNO3S2 and a molecular weight of 329.42 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-2-methoxyethyl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-2-methoxyethyl]-5-methylthiophene-2-sulfonamide
PubChem CID73168429
Molecular FormulaC14H16FNO3S2
Molecular Weight329.42 g/mol
Exact Mass329.06
IUPAC NameN-[2-(3-fluorophenyl)-2-methoxyethyl]-5-methylthiophene-2-sulfonamide
SMILESCOC(CNS(=O)(=O)c1ccc(C)s1)c1cccc(F)c1
InChIInChI=1S/C14H16FNO3S2/c1-10-6-7-14(20-10)21(17,18)16-9-13(19-2)11-4-3-5-12(15)8-11/h3-8,13,16H,9H2,1-2H3
InChIKeyIFXJNHPUSZOQJD-UHFFFAOYSA-N
XLogP2.86
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-2-methoxyethyl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[2-(3-fluorophenyl)-2-methoxyethyl]-5-methylthiophene-2-sulfonamide (CID 73168429) is N-[2-(3-fluorophenyl)-2-methoxyethyl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)-2-methoxyethyl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[2-(3-fluorophenyl)-2-methoxyethyl]-5-methylthiophene-2-sulfonamide is COC(CNS(=O)(=O)c1ccc(C)s1)c1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)-2-methoxyethyl]-5-methylthiophene-2-sulfonamide?
The InChIKey is IFXJNHPUSZOQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3S2/c1-10-6-7-14(20-10)21(17,18)16-9-13(19-2)11-4-3-5-12(15)8-11/h3-8,13,16H,9H2,1-2H3.
What are the key properties of N-[2-(3-fluorophenyl)-2-methoxyethyl]-5-methylthiophene-2-sulfonamide?
N-[2-(3-fluorophenyl)-2-methoxyethyl]-5-methylthiophene-2-sulfonamide has a molecular weight of 329.42 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)-2-methoxyethyl]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 73168429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).