N-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-sulfonamide

C13H14FNO3S2 — CID 30867085

IUPACN-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCCOc2ccc(F)cc2)s1
InChIInChI=1S/C13H14FNO3S2/c1-10-2-7-13(19-10)20(16,17)15-8-9-18-12-5-3-11(14)4-6-12/h2-7,15H,8-9H2,1H3
InChIKeyQVLUIMAGTJVGQT-UHFFFAOYSA-N
MW315.39 g/mol
LogP2.55
Rot. Bonds6

About N-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-sulfonamide

N-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-sulfonamide (PubChem CID 30867085) has the molecular formula C13H14FNO3S2 and a molecular weight of 315.39 g/mol. Its IUPAC name is N-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-sulfonamide
PubChem CID30867085
Molecular FormulaC13H14FNO3S2
Molecular Weight315.39 g/mol
Exact Mass315.04
IUPAC NameN-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCCOc2ccc(F)cc2)s1
InChIInChI=1S/C13H14FNO3S2/c1-10-2-7-13(19-10)20(16,17)15-8-9-18-12-5-3-11(14)4-6-12/h2-7,15H,8-9H2,1H3
InChIKeyQVLUIMAGTJVGQT-UHFFFAOYSA-N
XLogP2.55
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-ethoxyphenoxy)ethyl]-5-methylthiophene-2-sulfonamide
CID 30366287
5-methyl-N-(2-phenoxyethyl)thiophene-2-sulfonamide
CID 30867028
N-[2-(3,5-dimethylphenoxy)ethyl]-5-methylthiophene-2-sulfonamide
CID 30365965
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-methylthiophene-2-sulfonamide
CID 113101511
4-fluoro-N-[2-(4-fluorophenoxy)ethyl]benzenesulfonamide
CID 3127035
5-methyl-N-[2-(2,4,5-trimethylphenoxy)ethyl]thiophene-2-sulfonamide
CID 113101290
N-[2-(4-ethoxyphenoxy)ethyl]-5-ethylthiophene-2-sulfonamide
CID 30366253
N-[2-(4-fluorophenoxy)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 30365742
N-[2-(4-ethoxyphenoxy)ethyl]-4-fluorobenzenesulfonamide
CID 40753911
N-[3-(4-fluorophenoxy)propyl]thiophene-2-sulfonamide
CID 47474310
N-[2-(4-fluorophenoxy)ethyl]-2,5-dimethylbenzenesulfonamide
CID 30867090
N-[3-(2-bromoethoxy)propyl]-5-methylthiophene-2-sulfonamide
CID 106304861

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-sulfonamide (CID 30867085) is N-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NCCOc2ccc(F)cc2)s1.
What is the InChIKey of N-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-sulfonamide?
The InChIKey is QVLUIMAGTJVGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO3S2/c1-10-2-7-13(19-10)20(16,17)15-8-9-18-12-5-3-11(14)4-6-12/h2-7,15H,8-9H2,1H3.
What are the key properties of N-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-sulfonamide?
N-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-sulfonamide has a molecular weight of 315.39 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 30867085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).