N-(3-phenoxypropyl)thiophene-2-sulfonamide

C13H15NO3S2 — CID 47122008

IUPACN-(3-phenoxypropyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCCCOc1ccccc1)c1cccs1
InChIInChI=1S/C13H15NO3S2/c15-19(16,13-8-4-11-18-13)14-9-5-10-17-12-6-2-1-3-7-12/h1-4,6-8,11,14H,5,9-10H2
InChIKeyGMKLYBOUIJFZBV-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.50
Rot. Bonds7

About N-(3-phenoxypropyl)thiophene-2-sulfonamide

N-(3-phenoxypropyl)thiophene-2-sulfonamide (PubChem CID 47122008) has the molecular formula C13H15NO3S2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-(3-phenoxypropyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-phenoxypropyl)thiophene-2-sulfonamide
PubChem CID47122008
Molecular FormulaC13H15NO3S2
Molecular Weight297.40 g/mol
Exact Mass297.05
IUPAC NameN-(3-phenoxypropyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCCCOc1ccccc1)c1cccs1
InChIInChI=1S/C13H15NO3S2/c15-19(16,13-8-4-11-18-13)14-9-5-10-17-12-6-2-1-3-7-12/h1-4,6-8,11,14H,5,9-10H2
InChIKeyGMKLYBOUIJFZBV-UHFFFAOYSA-N
XLogP2.50
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.50
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-(4-fluorophenoxy)propyl]thiophene-2-sulfonamide
CID 47474310
N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide
CID 2998241
3-phenoxy-N-[2-(thiophen-2-ylsulfonylamino)ethyl]propanamide
CID 108573563
N-[3-(1-phenylethoxy)propyl]thiophene-2-sulfonamide
CID 51307272
N-(4-phenylbutyl)thiophene-2-sulfonamide
CID 3802488
N-[2-(3-propan-2-ylphenoxy)ethyl]thiophene-2-sulfonamide
CID 113100291
N-(2-aminooxyethyl)thiophene-2-sulfonamide
CID 39245279
N-(3-aminopropyl)thiophene-2-sulfonamide;hydrochloride
CID 119962042
N-pentylthiophene-2-sulfonamide
CID 5150701
N-dodecylthiophene-2-sulfonamide
CID 19681497
N-[3-(4-methoxyphenyl)propyl]thiophene-2-sulfonamide
CID 47330584
5-bromo-4-chloro-N-(3-phenoxypropyl)thiophene-2-sulfonamide
CID 80578862

Frequently Asked Questions

What is the IUPAC name of N-(3-phenoxypropyl)thiophene-2-sulfonamide?
The IUPAC name of N-(3-phenoxypropyl)thiophene-2-sulfonamide (CID 47122008) is N-(3-phenoxypropyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3-phenoxypropyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(3-phenoxypropyl)thiophene-2-sulfonamide is O=S(=O)(NCCCOc1ccccc1)c1cccs1.
What is the InChIKey of N-(3-phenoxypropyl)thiophene-2-sulfonamide?
The InChIKey is GMKLYBOUIJFZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S2/c15-19(16,13-8-4-11-18-13)14-9-5-10-17-12-6-2-1-3-7-12/h1-4,6-8,11,14H,5,9-10H2.
What are the key properties of N-(3-phenoxypropyl)thiophene-2-sulfonamide?
N-(3-phenoxypropyl)thiophene-2-sulfonamide has a molecular weight of 297.40 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenoxypropyl)thiophene-2-sulfonamide is sourced from PubChem (CID 47122008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).