5-bromo-4-chloro-N-(2,2-difluoroethyl)-N-methylthiophene-2-sulfonamide

C7H7BrClF2NO2S2 — CID 115685426

IUPAC5-bromo-4-chloro-N-(2,2-difluoroethyl)-N-methylthiophene-2-sulfonamide
SMILESCN(CC(F)F)S(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C7H7BrClF2NO2S2/c1-12(3-5(10)11)16(13,14)6-2-4(9)7(8)15-6/h2,5H,3H2,1H3
InChIKeyQCYCZZRZRRTNGS-UHFFFAOYSA-N
MW354.63 g/mol
LogP3.05
Rot. Bonds4

About 5-bromo-4-chloro-N-(2,2-difluoroethyl)-N-methylthiophene-2-sulfonamide

5-bromo-4-chloro-N-(2,2-difluoroethyl)-N-methylthiophene-2-sulfonamide (PubChem CID 115685426) has the molecular formula C7H7BrClF2NO2S2 and a molecular weight of 354.63 g/mol. Its IUPAC name is 5-bromo-4-chloro-N-(2,2-difluoroethyl)-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-4-chloro-N-(2,2-difluoroethyl)-N-methylthiophene-2-sulfonamide
PubChem CID115685426
Molecular FormulaC7H7BrClF2NO2S2
Molecular Weight354.63 g/mol
Exact Mass352.88
IUPAC Name5-bromo-4-chloro-N-(2,2-difluoroethyl)-N-methylthiophene-2-sulfonamide
SMILESCN(CC(F)F)S(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C7H7BrClF2NO2S2/c1-12(3-5(10)11)16(13,14)6-2-4(9)7(8)15-6/h2,5H,3H2,1H3
InChIKeyQCYCZZRZRRTNGS-UHFFFAOYSA-N
XLogP3.05
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.63
LogP ≤ 53.05
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-(2,2-difluoroethyl)-N-methylthiophene-2-sulfonamide?
The IUPAC name of 5-bromo-4-chloro-N-(2,2-difluoroethyl)-N-methylthiophene-2-sulfonamide (CID 115685426) is 5-bromo-4-chloro-N-(2,2-difluoroethyl)-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-4-chloro-N-(2,2-difluoroethyl)-N-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-4-chloro-N-(2,2-difluoroethyl)-N-methylthiophene-2-sulfonamide is CN(CC(F)F)S(=O)(=O)c1cc(Cl)c(Br)s1.
What is the InChIKey of 5-bromo-4-chloro-N-(2,2-difluoroethyl)-N-methylthiophene-2-sulfonamide?
The InChIKey is QCYCZZRZRRTNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClF2NO2S2/c1-12(3-5(10)11)16(13,14)6-2-4(9)7(8)15-6/h2,5H,3H2,1H3.
What are the key properties of 5-bromo-4-chloro-N-(2,2-difluoroethyl)-N-methylthiophene-2-sulfonamide?
5-bromo-4-chloro-N-(2,2-difluoroethyl)-N-methylthiophene-2-sulfonamide has a molecular weight of 354.63 g/mol, XLogP of 3.05, 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-(2,2-difluoroethyl)-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 115685426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).