5-chloro-N-hexylthiophene-2-sulfonamide

C10H16ClNO2S2 — CID 3239984

IUPAC5-chloro-N-hexylthiophene-2-sulfonamide
SMILESCCCCCCNS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H16ClNO2S2/c1-2-3-4-5-8-12-16(13,14)10-7-6-9(11)15-10/h6-7,12H,2-5,8H2,1H3
InChIKeyZXDCFIWUQNUTJE-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.26
Rot. Bonds7

About 5-chloro-N-hexylthiophene-2-sulfonamide

5-chloro-N-hexylthiophene-2-sulfonamide (PubChem CID 3239984) has the molecular formula C10H16ClNO2S2 and a molecular weight of 281.83 g/mol. Its IUPAC name is 5-chloro-N-hexylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-hexylthiophene-2-sulfonamide
PubChem CID3239984
Molecular FormulaC10H16ClNO2S2
Molecular Weight281.83 g/mol
Exact Mass281.03
IUPAC Name5-chloro-N-hexylthiophene-2-sulfonamide
SMILESCCCCCCNS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H16ClNO2S2/c1-2-3-4-5-8-12-16(13,14)10-7-6-9(11)15-10/h6-7,12H,2-5,8H2,1H3
InChIKeyZXDCFIWUQNUTJE-UHFFFAOYSA-N
XLogP3.26
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.26
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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-hexylthiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-hexylthiophene-2-sulfonamide (CID 3239984) is 5-chloro-N-hexylthiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-hexylthiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-hexylthiophene-2-sulfonamide is CCCCCCNS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-hexylthiophene-2-sulfonamide?
The InChIKey is ZXDCFIWUQNUTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNO2S2/c1-2-3-4-5-8-12-16(13,14)10-7-6-9(11)15-10/h6-7,12H,2-5,8H2,1H3.
What are the key properties of 5-chloro-N-hexylthiophene-2-sulfonamide?
5-chloro-N-hexylthiophene-2-sulfonamide has a molecular weight of 281.83 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-hexylthiophene-2-sulfonamide is sourced from PubChem (CID 3239984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).