N-[3-(4-fluorophenoxy)propyl]-N-methylthiophene-2-sulfonamide

C14H16FNO3S2 — CID 39967068

IUPACN-[3-(4-fluorophenoxy)propyl]-N-methylthiophene-2-sulfonamide
SMILESCN(CCCOc1ccc(F)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C14H16FNO3S2/c1-16(21(17,18)14-4-2-11-20-14)9-3-10-19-13-7-5-12(15)6-8-13/h2,4-8,11H,3,9-10H2,1H3
InChIKeyXIFARPZZJKIALA-UHFFFAOYSA-N
MW329.42 g/mol
LogP2.98
Rot. Bonds7

About N-[3-(4-fluorophenoxy)propyl]-N-methylthiophene-2-sulfonamide

N-[3-(4-fluorophenoxy)propyl]-N-methylthiophene-2-sulfonamide (PubChem CID 39967068) has the molecular formula C14H16FNO3S2 and a molecular weight of 329.42 g/mol. Its IUPAC name is N-[3-(4-fluorophenoxy)propyl]-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenoxy)propyl]-N-methylthiophene-2-sulfonamide
PubChem CID39967068
Molecular FormulaC14H16FNO3S2
Molecular Weight329.42 g/mol
Exact Mass329.06
IUPAC NameN-[3-(4-fluorophenoxy)propyl]-N-methylthiophene-2-sulfonamide
SMILESCN(CCCOc1ccc(F)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C14H16FNO3S2/c1-16(21(17,18)14-4-2-11-20-14)9-3-10-19-13-7-5-12(15)6-8-13/h2,4-8,11H,3,9-10H2,1H3
InChIKeyXIFARPZZJKIALA-UHFFFAOYSA-N
XLogP2.98
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-[3-(4-fluorophenoxy)propyl]-N-methylbenzenesulfonamide
CID 60602045
N-butyl-N-methylthiophene-2-sulfonamide
CID 4992196
2,4-difluoro-N-[3-(4-fluorophenoxy)propyl]-N-methylbenzenesulfonamide
CID 78870952
N-[3-(4-fluorophenoxy)propyl]thiophene-2-sulfonamide
CID 47474310
N-(4-fluorophenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 16547796
N-[2-(4-fluorophenoxy)ethyl]-N-methylethanesulfonamide
CID 61363430
1-bromo-N-[2-(4-fluorophenoxy)ethyl]-N-methylmethanesulfonamide
CID 83093376
N-ethyl-N-methylthiophene-2-sulfonamide;hydrochloride
CID 130616398
[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-[methyl(thiophen-2-ylsulfonyl)amino]butanoate
CID 42412405
N-[2-(4-fluorophenoxy)ethyl]-N-methylpropane-1-sulfonamide
CID 61383893
N-[2-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-methylamino]ethyl]-N-methylthiophene-2-sulfonamide
CID 66878455
N-[(2-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide
CID 2531281

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenoxy)propyl]-N-methylthiophene-2-sulfonamide?
The IUPAC name of N-[3-(4-fluorophenoxy)propyl]-N-methylthiophene-2-sulfonamide (CID 39967068) is N-[3-(4-fluorophenoxy)propyl]-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[3-(4-fluorophenoxy)propyl]-N-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[3-(4-fluorophenoxy)propyl]-N-methylthiophene-2-sulfonamide is CN(CCCOc1ccc(F)cc1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[3-(4-fluorophenoxy)propyl]-N-methylthiophene-2-sulfonamide?
The InChIKey is XIFARPZZJKIALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3S2/c1-16(21(17,18)14-4-2-11-20-14)9-3-10-19-13-7-5-12(15)6-8-13/h2,4-8,11H,3,9-10H2,1H3.
What are the key properties of N-[3-(4-fluorophenoxy)propyl]-N-methylthiophene-2-sulfonamide?
N-[3-(4-fluorophenoxy)propyl]-N-methylthiophene-2-sulfonamide has a molecular weight of 329.42 g/mol, XLogP of 2.98, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenoxy)propyl]-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 39967068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).