3-bromo-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide

C9H11BrF3NO2S2 — CID 61456409

IUPAC3-bromo-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
SMILESCCCN(CC(F)(F)F)S(=O)(=O)c1sccc1Br
InChIInChI=1S/C9H11BrF3NO2S2/c1-2-4-14(6-9(11,12)13)18(15,16)8-7(10)3-5-17-8/h3,5H,2,4,6H2,1H3
InChIKeyOAOUQAOHZIGZLT-UHFFFAOYSA-N
MW366.22 g/mol
LogP3.47
Rot. Bonds5

About 3-bromo-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide

3-bromo-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide (PubChem CID 61456409) has the molecular formula C9H11BrF3NO2S2 and a molecular weight of 366.22 g/mol. Its IUPAC name is 3-bromo-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
PubChem CID61456409
Molecular FormulaC9H11BrF3NO2S2
Molecular Weight366.22 g/mol
Exact Mass364.94
IUPAC Name3-bromo-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
SMILESCCCN(CC(F)(F)F)S(=O)(=O)c1sccc1Br
InChIInChI=1S/C9H11BrF3NO2S2/c1-2-4-14(6-9(11,12)13)18(15,16)8-7(10)3-5-17-8/h3,5H,2,4,6H2,1H3
InChIKeyOAOUQAOHZIGZLT-UHFFFAOYSA-N
XLogP3.47
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.22
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide (CID 61456409) is 3-bromo-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide is CCCN(CC(F)(F)F)S(=O)(=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The InChIKey is OAOUQAOHZIGZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrF3NO2S2/c1-2-4-14(6-9(11,12)13)18(15,16)8-7(10)3-5-17-8/h3,5H,2,4,6H2,1H3.
What are the key properties of 3-bromo-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
3-bromo-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide has a molecular weight of 366.22 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 61456409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).