5-bromo-4-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide

C11H14BrClF3NO2S2 — CID 80578621

IUPAC5-bromo-4-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
SMILESCCC(CC)N(CC(F)(F)F)S(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C11H14BrClF3NO2S2/c1-3-7(4-2)17(6-11(14,15)16)21(18,19)9-5-8(13)10(12)20-9/h5,7H,3-4,6H2,1-2H3
InChIKeyIEILWTCNSFKAHB-UHFFFAOYSA-N
MW428.72 g/mol
LogP4.91
Rot. Bonds6

About 5-bromo-4-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide

5-bromo-4-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide (PubChem CID 80578621) has the molecular formula C11H14BrClF3NO2S2 and a molecular weight of 428.72 g/mol. Its IUPAC name is 5-bromo-4-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-4-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
PubChem CID80578621
Molecular FormulaC11H14BrClF3NO2S2
Molecular Weight428.72 g/mol
Exact Mass426.93
IUPAC Name5-bromo-4-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
SMILESCCC(CC)N(CC(F)(F)F)S(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C11H14BrClF3NO2S2/c1-3-7(4-2)17(6-11(14,15)16)21(18,19)9-5-8(13)10(12)20-9/h5,7H,3-4,6H2,1-2H3
InChIKeyIEILWTCNSFKAHB-UHFFFAOYSA-N
XLogP4.91
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.72
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-4-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide (CID 80578621) is 5-bromo-4-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-4-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-4-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide is CCC(CC)N(CC(F)(F)F)S(=O)(=O)c1cc(Cl)c(Br)s1.
What is the InChIKey of 5-bromo-4-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The InChIKey is IEILWTCNSFKAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClF3NO2S2/c1-3-7(4-2)17(6-11(14,15)16)21(18,19)9-5-8(13)10(12)20-9/h5,7H,3-4,6H2,1-2H3.
What are the key properties of 5-bromo-4-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
5-bromo-4-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide has a molecular weight of 428.72 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 80578621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).