3-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide

C11H13BrF3NO2S2 — CID 61456259

IUPAC3-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
SMILESCC(C1CC1)N(CC(F)(F)F)S(=O)(=O)c1sccc1Br
InChIInChI=1S/C11H13BrF3NO2S2/c1-7(8-2-3-8)16(6-11(13,14)15)20(17,18)10-9(12)4-5-19-10/h4-5,7-8H,2-3,6H2,1H3
InChIKeyOPXVJQJPBUQSKJ-UHFFFAOYSA-N
MW392.26 g/mol
LogP3.86
Rot. Bonds5

About 3-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide

3-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide (PubChem CID 61456259) has the molecular formula C11H13BrF3NO2S2 and a molecular weight of 392.26 g/mol. Its IUPAC name is 3-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
PubChem CID61456259
Molecular FormulaC11H13BrF3NO2S2
Molecular Weight392.26 g/mol
Exact Mass390.95
IUPAC Name3-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
SMILESCC(C1CC1)N(CC(F)(F)F)S(=O)(=O)c1sccc1Br
InChIInChI=1S/C11H13BrF3NO2S2/c1-7(8-2-3-8)16(6-11(13,14)15)20(17,18)10-9(12)4-5-19-10/h4-5,7-8H,2-3,6H2,1H3
InChIKeyOPXVJQJPBUQSKJ-UHFFFAOYSA-N
XLogP3.86
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.26
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclopropylethyl)-4-methyl-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide
CID 60983851
5-bromo-N-(1-cyclopropylethyl)-3-methyl-N-(2,2,2-trifluoroethyl)triazole-4-sulfonamide
CID 106467709
3-bromo-N-butan-2-yl-N-ethylthiophene-2-sulfonamide
CID 61456147
3-bromo-N-(cyclopropylmethyl)-N-methylthiophene-2-sulfonamide
CID 61067426
N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide
CID 64585947
3-bromo-N-(1-cyclopropylethyl)thiophene-2-sulfonamide
CID 61073735
3-bromo-N-cyclopentyl-N-methylthiophene-2-sulfonamide
CID 61073287
3-bromo-N-methyl-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide
CID 61072692
N-[(2-aminophenyl)methyl]-3-bromo-N-propan-2-ylthiophene-2-sulfonamide
CID 61457781
3-bromo-N-(cyclobutylmethyl)-N-ethylthiophene-2-sulfonamide
CID 107400610
3-bromo-N-(2-chloroethyl)-N-methylthiophene-2-sulfonamide
CID 63396569
3-bromo-N-methyl-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide
CID 54952444

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide (CID 61456259) is 3-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide is CC(C1CC1)N(CC(F)(F)F)S(=O)(=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
The InChIKey is OPXVJQJPBUQSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF3NO2S2/c1-7(8-2-3-8)16(6-11(13,14)15)20(17,18)10-9(12)4-5-19-10/h4-5,7-8H,2-3,6H2,1H3.
What are the key properties of 3-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide?
3-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide has a molecular weight of 392.26 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 61456259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).