2-hexyl-1,3-thiazole-5-sulfonamide

C9H16N2O2S2 — CID 22406929

IUPAC2-hexyl-1,3-thiazole-5-sulfonamide
SMILESCCCCCCc1ncc(S(N)(=O)=O)s1
InChIInChI=1S/C9H16N2O2S2/c1-2-3-4-5-6-8-11-7-9(14-8)15(10,12)13/h7H,2-6H2,1H3,(H2,10,12,13)
InChIKeyWMVNWOJAPBGZRX-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.91
Rot. Bonds6

About 2-hexyl-1,3-thiazole-5-sulfonamide

2-hexyl-1,3-thiazole-5-sulfonamide (PubChem CID 22406929) has the molecular formula C9H16N2O2S2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-hexyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-hexyl-1,3-thiazole-5-sulfonamide
PubChem CID22406929
Molecular FormulaC9H16N2O2S2
Molecular Weight248.37 g/mol
Exact Mass248.07
IUPAC Name2-hexyl-1,3-thiazole-5-sulfonamide
SMILESCCCCCCc1ncc(S(N)(=O)=O)s1
InChIInChI=1S/C9H16N2O2S2/c1-2-3-4-5-6-8-11-7-9(14-8)15(10,12)13/h7H,2-6H2,1H3,(H2,10,12,13)
InChIKeyWMVNWOJAPBGZRX-UHFFFAOYSA-N
XLogP1.91
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.91
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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Frequently Asked Questions

What is the IUPAC name of 2-hexyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-hexyl-1,3-thiazole-5-sulfonamide (CID 22406929) is 2-hexyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-hexyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-hexyl-1,3-thiazole-5-sulfonamide is CCCCCCc1ncc(S(N)(=O)=O)s1.
What is the InChIKey of 2-hexyl-1,3-thiazole-5-sulfonamide?
The InChIKey is WMVNWOJAPBGZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S2/c1-2-3-4-5-6-8-11-7-9(14-8)15(10,12)13/h7H,2-6H2,1H3,(H2,10,12,13).
What are the key properties of 2-hexyl-1,3-thiazole-5-sulfonamide?
2-hexyl-1,3-thiazole-5-sulfonamide has a molecular weight of 248.37 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 22406929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).