5-chloro-N-heptylthiophene-2-sulfonamide

C11H18ClNO2S2 — CID 19681281

IUPAC5-chloro-N-heptylthiophene-2-sulfonamide
SMILESCCCCCCCNS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H18ClNO2S2/c1-2-3-4-5-6-9-13-17(14,15)11-8-7-10(12)16-11/h7-8,13H,2-6,9H2,1H3
InChIKeyLYZOIXMGIZEZTJ-UHFFFAOYSA-N
MW295.86 g/mol
LogP3.65
Rot. Bonds8

About 5-chloro-N-heptylthiophene-2-sulfonamide

5-chloro-N-heptylthiophene-2-sulfonamide (PubChem CID 19681281) has the molecular formula C11H18ClNO2S2 and a molecular weight of 295.86 g/mol. Its IUPAC name is 5-chloro-N-heptylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-heptylthiophene-2-sulfonamide
PubChem CID19681281
Molecular FormulaC11H18ClNO2S2
Molecular Weight295.86 g/mol
Exact Mass295.05
IUPAC Name5-chloro-N-heptylthiophene-2-sulfonamide
SMILESCCCCCCCNS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H18ClNO2S2/c1-2-3-4-5-6-9-13-17(14,15)11-8-7-10(12)16-11/h7-8,13H,2-6,9H2,1H3
InChIKeyLYZOIXMGIZEZTJ-UHFFFAOYSA-N
XLogP3.65
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.86
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-[2-(dibutylamino)ethyl]thiophene-2-sulfonamide
CID 4996654
5-methyl-N-pentylthiophene-2-sulfonamide
CID 39791909
5-chloro-N-hex-5-ynylthiophene-2-sulfonamide
CID 103756996
5-cyano-N-decylthiophene-2-sulfonamide
CID 106268639
5-chloro-N-(3-pyrrol-1-ylpropyl)thiophene-2-sulfonamide
CID 110721121
N-dodecylthiophene-2-sulfonamide
CID 19681497
5-chloro-N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide
CID 22207436
5-chloro-N-[3-(2-methylimidazol-1-yl)propyl]thiophene-2-sulfonamide
CID 56684506
5-chloro-N-(4-pyridin-3-ylbutyl)thiophene-2-sulfonamide
CID 110661337
5-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]thiophene-2-sulfonamide
CID 22207528
5-chloro-N-(1-hydroxyheptan-2-yl)thiophene-2-sulfonamide
CID 68540037
N-pentylthiophene-2-sulfonamide
CID 5150701

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-heptylthiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-heptylthiophene-2-sulfonamide (CID 19681281) is 5-chloro-N-heptylthiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-heptylthiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-heptylthiophene-2-sulfonamide is CCCCCCCNS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-heptylthiophene-2-sulfonamide?
The InChIKey is LYZOIXMGIZEZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNO2S2/c1-2-3-4-5-6-9-13-17(14,15)11-8-7-10(12)16-11/h7-8,13H,2-6,9H2,1H3.
What are the key properties of 5-chloro-N-heptylthiophene-2-sulfonamide?
5-chloro-N-heptylthiophene-2-sulfonamide has a molecular weight of 295.86 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-heptylthiophene-2-sulfonamide is sourced from PubChem (CID 19681281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).