5-bromo-4-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide

C11H12BrClF3NO2S2 — CID 80578468

IUPAC5-bromo-4-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
SMILESCC(C1CC1)N(CC(F)(F)F)S(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C11H12BrClF3NO2S2/c1-6(7-2-3-7)17(5-11(14,15)16)21(18,19)9-4-8(13)10(12)20-9/h4,6-7H,2-3,5H2,1H3
InChIKeyAORRRLBHDSJTMN-UHFFFAOYSA-N
MW426.71 g/mol
LogP4.52
Rot. Bonds5

About 5-bromo-4-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide

5-bromo-4-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide (PubChem CID 80578468) has the molecular formula C11H12BrClF3NO2S2 and a molecular weight of 426.71 g/mol. Its IUPAC name is 5-bromo-4-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-4-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
PubChem CID80578468
Molecular FormulaC11H12BrClF3NO2S2
Molecular Weight426.71 g/mol
Exact Mass424.91
IUPAC Name5-bromo-4-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
SMILESCC(C1CC1)N(CC(F)(F)F)S(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C11H12BrClF3NO2S2/c1-6(7-2-3-7)17(5-11(14,15)16)21(18,19)9-4-8(13)10(12)20-9/h4,6-7H,2-3,5H2,1H3
InChIKeyAORRRLBHDSJTMN-UHFFFAOYSA-N
XLogP4.52
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.71
LogP ≤ 54.52
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-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-4-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide (CID 80578468) is 5-bromo-4-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-4-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-4-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide is CC(C1CC1)N(CC(F)(F)F)S(=O)(=O)c1cc(Cl)c(Br)s1.
What is the InChIKey of 5-bromo-4-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The InChIKey is AORRRLBHDSJTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClF3NO2S2/c1-6(7-2-3-7)17(5-11(14,15)16)21(18,19)9-4-8(13)10(12)20-9/h4,6-7H,2-3,5H2,1H3.
What are the key properties of 5-bromo-4-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
5-bromo-4-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide has a molecular weight of 426.71 g/mol, XLogP of 4.52, 5 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-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 80578468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).