5-ethyl-N-hex-5-ynylthiophene-2-sulfonamide

C12H17NO2S2 — CID 103756970

IUPAC5-ethyl-N-hex-5-ynylthiophene-2-sulfonamide
SMILESC#CCCCCNS(=O)(=O)c1ccc(CC)s1
InChIInChI=1S/C12H17NO2S2/c1-3-5-6-7-10-13-17(14,15)12-9-8-11(4-2)16-12/h1,8-9,13H,4-7,10H2,2H3
InChIKeyXUCZCQVUYIWVNV-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.39
Rot. Bonds7

About 5-ethyl-N-hex-5-ynylthiophene-2-sulfonamide

5-ethyl-N-hex-5-ynylthiophene-2-sulfonamide (PubChem CID 103756970) has the molecular formula C12H17NO2S2 and a molecular weight of 271.41 g/mol. Its IUPAC name is 5-ethyl-N-hex-5-ynylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-hex-5-ynylthiophene-2-sulfonamide
PubChem CID103756970
Molecular FormulaC12H17NO2S2
Molecular Weight271.41 g/mol
Exact Mass271.07
IUPAC Name5-ethyl-N-hex-5-ynylthiophene-2-sulfonamide
SMILESC#CCCCCNS(=O)(=O)c1ccc(CC)s1
InChIInChI=1S/C12H17NO2S2/c1-3-5-6-7-10-13-17(14,15)12-9-8-11(4-2)16-12/h1,8-9,13H,4-7,10H2,2H3
InChIKeyXUCZCQVUYIWVNV-UHFFFAOYSA-N
XLogP2.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-hex-5-ynylthiophene-2-sulfonamide
CID 103756996
N-(3-bromopropyl)-5-ethylthiophene-2-sulfonamide
CID 61454391
N-(cyanomethyl)-5-ethylthiophene-2-sulfonamide
CID 61454174
5-ethyl-N-[3-(4-hydroxyphenyl)propyl]thiophene-2-sulfonamide
CID 110423618
5-ethyl-N-(2-propan-2-yloxyethyl)thiophene-2-sulfonamide
CID 110602852
5-ethyl-N-(3-quinolin-8-yloxypropyl)thiophene-2-sulfonamide
CID 56574545
N-(2-amino-2-methylpropyl)-5-ethylthiophene-2-sulfonamide
CID 115303410
N-[2-(4-ethoxyphenoxy)ethyl]-5-ethylthiophene-2-sulfonamide
CID 30366253
5-ethyl-N-(2-ethylbutyl)thiophene-2-sulfonamide
CID 115613311
5-ethyl-N-(2-oxopropyl)thiophene-2-sulfonamide
CID 64994375
5-ethyl-N-[2-(4-methoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 113098193
5-ethyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide
CID 114616513

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-hex-5-ynylthiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-hex-5-ynylthiophene-2-sulfonamide (CID 103756970) is 5-ethyl-N-hex-5-ynylthiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-hex-5-ynylthiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-hex-5-ynylthiophene-2-sulfonamide is C#CCCCCNS(=O)(=O)c1ccc(CC)s1.
What is the InChIKey of 5-ethyl-N-hex-5-ynylthiophene-2-sulfonamide?
The InChIKey is XUCZCQVUYIWVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S2/c1-3-5-6-7-10-13-17(14,15)12-9-8-11(4-2)16-12/h1,8-9,13H,4-7,10H2,2H3.
What are the key properties of 5-ethyl-N-hex-5-ynylthiophene-2-sulfonamide?
5-ethyl-N-hex-5-ynylthiophene-2-sulfonamide has a molecular weight of 271.41 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-hex-5-ynylthiophene-2-sulfonamide is sourced from PubChem (CID 103756970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).