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

C13H14FNO3S2 — CID 47474310

IUPACN-[3-(4-fluorophenoxy)propyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCCOc1ccc(F)cc1)c1cccs1
InChIInChI=1S/C13H14FNO3S2/c14-11-4-6-12(7-5-11)18-9-2-8-15-20(16,17)13-3-1-10-19-13/h1,3-7,10,15H,2,8-9H2
InChIKeyCFWAMIIQUFBBCH-UHFFFAOYSA-N
MW315.39 g/mol
LogP2.63
Rot. Bonds7

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

N-[3-(4-fluorophenoxy)propyl]thiophene-2-sulfonamide (PubChem CID 47474310) has the molecular formula C13H14FNO3S2 and a molecular weight of 315.39 g/mol. Its IUPAC name is N-[3-(4-fluorophenoxy)propyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenoxy)propyl]thiophene-2-sulfonamide
PubChem CID47474310
Molecular FormulaC13H14FNO3S2
Molecular Weight315.39 g/mol
Exact Mass315.04
IUPAC NameN-[3-(4-fluorophenoxy)propyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCCOc1ccc(F)cc1)c1cccs1
InChIInChI=1S/C13H14FNO3S2/c14-11-4-6-12(7-5-11)18-9-2-8-15-20(16,17)13-3-1-10-19-13/h1,3-7,10,15H,2,8-9H2
InChIKeyCFWAMIIQUFBBCH-UHFFFAOYSA-N
XLogP2.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 52.63
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-(3-phenoxypropyl)thiophene-2-sulfonamide
CID 47122008
N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide
CID 2998241
N-[3-(4-fluorophenoxy)propyl]benzenesulfonamide
CID 110288244
N-[3-(4-fluorophenoxy)propyl]-N-methylthiophene-2-sulfonamide
CID 39967068
4-fluoro-N-[2-(4-fluorophenoxy)ethyl]benzenesulfonamide
CID 3127035
N-[2-(2,4-difluorophenyl)ethyl]thiophene-2-sulfonamide
CID 110789033
N-[3-(4-methoxyphenyl)propyl]thiophene-2-sulfonamide
CID 47330584
N-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-sulfonamide
CID 30867085
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]thiophene-2-sulfonamide
CID 42389425
N-pentylthiophene-2-sulfonamide
CID 5150701
N-(2-aminooxyethyl)thiophene-2-sulfonamide
CID 39245279
N-(3-aminopropyl)thiophene-2-sulfonamide;hydrochloride
CID 119962042

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenoxy)propyl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-(4-fluorophenoxy)propyl]thiophene-2-sulfonamide (CID 47474310) is N-[3-(4-fluorophenoxy)propyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-(4-fluorophenoxy)propyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-(4-fluorophenoxy)propyl]thiophene-2-sulfonamide is O=S(=O)(NCCCOc1ccc(F)cc1)c1cccs1.
What is the InChIKey of N-[3-(4-fluorophenoxy)propyl]thiophene-2-sulfonamide?
The InChIKey is CFWAMIIQUFBBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO3S2/c14-11-4-6-12(7-5-11)18-9-2-8-15-20(16,17)13-3-1-10-19-13/h1,3-7,10,15H,2,8-9H2.
What are the key properties of N-[3-(4-fluorophenoxy)propyl]thiophene-2-sulfonamide?
N-[3-(4-fluorophenoxy)propyl]thiophene-2-sulfonamide has a molecular weight of 315.39 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenoxy)propyl]thiophene-2-sulfonamide is sourced from PubChem (CID 47474310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).