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

C9H9BrF3NO2S2 — CID 54983854

IUPAC3-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(c1sccc1Br)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C9H9BrF3NO2S2/c10-7-3-4-17-8(7)18(15,16)14(6-1-2-6)5-9(11,12)13/h3-4,6H,1-2,5H2
InChIKeyUSEHTJFOUSRLPQ-UHFFFAOYSA-N
MW364.21 g/mol
LogP3.23
Rot. Bonds4

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

3-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide (PubChem CID 54983854) has the molecular formula C9H9BrF3NO2S2 and a molecular weight of 364.21 g/mol. Its IUPAC name is 3-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
PubChem CID54983854
Molecular FormulaC9H9BrF3NO2S2
Molecular Weight364.21 g/mol
Exact Mass362.92
IUPAC Name3-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(c1sccc1Br)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C9H9BrF3NO2S2/c10-7-3-4-17-8(7)18(15,16)14(6-1-2-6)5-9(11,12)13/h3-4,6H,1-2,5H2
InChIKeyUSEHTJFOUSRLPQ-UHFFFAOYSA-N
XLogP3.23
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.21
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide (CID 54983854) is 3-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide is O=S(=O)(c1sccc1Br)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 3-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The InChIKey is USEHTJFOUSRLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF3NO2S2/c10-7-3-4-17-8(7)18(15,16)14(6-1-2-6)5-9(11,12)13/h3-4,6H,1-2,5H2.
What are the key properties of 3-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
3-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide has a molecular weight of 364.21 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 54983854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).