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

C9H10BrClF3NO2S2 — CID 80580144

IUPAC5-bromo-4-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
SMILESCC(C)N(CC(F)(F)F)S(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C9H10BrClF3NO2S2/c1-5(2)15(4-9(12,13)14)19(16,17)7-3-6(11)8(10)18-7/h3,5H,4H2,1-2H3
InChIKeyPKYLZNNBEUMRCN-UHFFFAOYSA-N
MW400.67 g/mol
LogP4.13
Rot. Bonds4

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

5-bromo-4-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide (PubChem CID 80580144) has the molecular formula C9H10BrClF3NO2S2 and a molecular weight of 400.67 g/mol. Its IUPAC name is 5-bromo-4-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-4-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
PubChem CID80580144
Molecular FormulaC9H10BrClF3NO2S2
Molecular Weight400.67 g/mol
Exact Mass398.90
IUPAC Name5-bromo-4-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
SMILESCC(C)N(CC(F)(F)F)S(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C9H10BrClF3NO2S2/c1-5(2)15(4-9(12,13)14)19(16,17)7-3-6(11)8(10)18-7/h3,5H,4H2,1-2H3
InChIKeyPKYLZNNBEUMRCN-UHFFFAOYSA-N
XLogP4.13
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.67
LogP ≤ 54.13
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-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-4-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide (CID 80580144) is 5-bromo-4-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-4-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-4-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide is CC(C)N(CC(F)(F)F)S(=O)(=O)c1cc(Cl)c(Br)s1.
What is the InChIKey of 5-bromo-4-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The InChIKey is PKYLZNNBEUMRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClF3NO2S2/c1-5(2)15(4-9(12,13)14)19(16,17)7-3-6(11)8(10)18-7/h3,5H,4H2,1-2H3.
What are the key properties of 5-bromo-4-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
5-bromo-4-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide has a molecular weight of 400.67 g/mol, XLogP of 4.13, 4 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-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 80580144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).