5-bromo-4-methyl-N-(5,5,5-trifluoropentyl)thiophene-2-sulfonamide

C10H13BrF3NO2S2 — CID 115486673

IUPAC5-bromo-4-methyl-N-(5,5,5-trifluoropentyl)thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NCCCCC(F)(F)F)sc1Br
InChIInChI=1S/C10H13BrF3NO2S2/c1-7-6-8(18-9(7)11)19(16,17)15-5-3-2-4-10(12,13)14/h6,15H,2-5H2,1H3
InChIKeyRQLVTTXBRBACKP-UHFFFAOYSA-N
MW380.25 g/mol
LogP3.83
Rot. Bonds6

About 5-bromo-4-methyl-N-(5,5,5-trifluoropentyl)thiophene-2-sulfonamide

5-bromo-4-methyl-N-(5,5,5-trifluoropentyl)thiophene-2-sulfonamide (PubChem CID 115486673) has the molecular formula C10H13BrF3NO2S2 and a molecular weight of 380.25 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-(5,5,5-trifluoropentyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-4-methyl-N-(5,5,5-trifluoropentyl)thiophene-2-sulfonamide
PubChem CID115486673
Molecular FormulaC10H13BrF3NO2S2
Molecular Weight380.25 g/mol
Exact Mass378.95
IUPAC Name5-bromo-4-methyl-N-(5,5,5-trifluoropentyl)thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NCCCCC(F)(F)F)sc1Br
InChIInChI=1S/C10H13BrF3NO2S2/c1-7-6-8(18-9(7)11)19(16,17)15-5-3-2-4-10(12,13)14/h6,15H,2-5H2,1H3
InChIKeyRQLVTTXBRBACKP-UHFFFAOYSA-N
XLogP3.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.25
LogP ≤ 53.83
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-bromo-4-methyl-N-(5,5,5-trifluoropentyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-4-methyl-N-(5,5,5-trifluoropentyl)thiophene-2-sulfonamide (CID 115486673) is 5-bromo-4-methyl-N-(5,5,5-trifluoropentyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-4-methyl-N-(5,5,5-trifluoropentyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-4-methyl-N-(5,5,5-trifluoropentyl)thiophene-2-sulfonamide is Cc1cc(S(=O)(=O)NCCCCC(F)(F)F)sc1Br.
What is the InChIKey of 5-bromo-4-methyl-N-(5,5,5-trifluoropentyl)thiophene-2-sulfonamide?
The InChIKey is RQLVTTXBRBACKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrF3NO2S2/c1-7-6-8(18-9(7)11)19(16,17)15-5-3-2-4-10(12,13)14/h6,15H,2-5H2,1H3.
What are the key properties of 5-bromo-4-methyl-N-(5,5,5-trifluoropentyl)thiophene-2-sulfonamide?
5-bromo-4-methyl-N-(5,5,5-trifluoropentyl)thiophene-2-sulfonamide has a molecular weight of 380.25 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-(5,5,5-trifluoropentyl)thiophene-2-sulfonamide is sourced from PubChem (CID 115486673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).