1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine

C10H8BrClF3NO2S2 — CID 115770420

IUPAC1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
SMILESO=S(=O)(c1cc(Cl)c(Br)s1)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C10H8BrClF3NO2S2/c11-9-7(12)5-8(19-9)20(17,18)16-3-1-6(2-4-16)10(13,14)15/h1,5H,2-4H2
InChIKeyWEMFFEVNLYZVMD-UHFFFAOYSA-N
MW410.66 g/mol
LogP4.05
Rot. Bonds2

About 1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine

1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine (PubChem CID 115770420) has the molecular formula C10H8BrClF3NO2S2 and a molecular weight of 410.66 g/mol. Its IUPAC name is 1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
PubChem CID115770420
Molecular FormulaC10H8BrClF3NO2S2
Molecular Weight410.66 g/mol
Exact Mass408.88
IUPAC Name1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
SMILESO=S(=O)(c1cc(Cl)c(Br)s1)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C10H8BrClF3NO2S2/c11-9-7(12)5-8(19-9)20(17,18)16-3-1-6(2-4-16)10(13,14)15/h1,5H,2-4H2
InChIKeyWEMFFEVNLYZVMD-UHFFFAOYSA-N
XLogP4.05
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.66
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-butyl-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 79994651
5-bromo-4-chloro-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide
CID 80130621
1-(5-Bromo-4-chlorothiophen-2-yl)sulfonyl-3-(trifluoromethyl)piperidine
CID 80130876
5-bromo-4-chloro-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 80130884
5-bromo-4-chloro-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 80131349
5-bromo-4-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 80131355
5-bromo-4-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 80131417
1-(5-Bromo-4-chlorothiophen-2-yl)sulfonyl-4-(2,2,2-trifluoroethyl)piperazine
CID 80132736
1-(5-Bromo-4-chlorothiophen-2-yl)sulfonyl-4-(trifluoromethyl)piperidine
CID 80133926
5-bromo-4-chloro-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 80578468
5-bromo-4-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 80578621
5-bromo-N-butyl-4-chloro-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 80580075

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine (CID 115770420) is 1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine is O=S(=O)(c1cc(Cl)c(Br)s1)N1CC=C(C(F)(F)F)CC1.
What is the InChIKey of 1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is WEMFFEVNLYZVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClF3NO2S2/c11-9-7(12)5-8(19-9)20(17,18)16-3-1-6(2-4-16)10(13,14)15/h1,5H,2-4H2.
What are the key properties of 1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 410.66 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 115770420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).