5-bromo-N-[2-chloro-6-(trifluoromethyl)phenyl]thiophene-2-sulfonamide

C11H6BrClF3NO2S2 — CID 61392355

IUPAC5-bromo-N-[2-chloro-6-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1c(Cl)cccc1C(F)(F)F)c1ccc(Br)s1
InChIInChI=1S/C11H6BrClF3NO2S2/c12-8-4-5-9(20-8)21(18,19)17-10-6(11(14,15)16)2-1-3-7(10)13/h1-5,17H
InChIKeyXTRZUCLLNHHSMJ-UHFFFAOYSA-N
MW420.66 g/mol
LogP4.98
Rot. Bonds3

About 5-bromo-N-[2-chloro-6-(trifluoromethyl)phenyl]thiophene-2-sulfonamide

5-bromo-N-[2-chloro-6-(trifluoromethyl)phenyl]thiophene-2-sulfonamide (PubChem CID 61392355) has the molecular formula C11H6BrClF3NO2S2 and a molecular weight of 420.66 g/mol. Its IUPAC name is 5-bromo-N-[2-chloro-6-(trifluoromethyl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[2-chloro-6-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
PubChem CID61392355
Molecular FormulaC11H6BrClF3NO2S2
Molecular Weight420.66 g/mol
Exact Mass418.87
IUPAC Name5-bromo-N-[2-chloro-6-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1c(Cl)cccc1C(F)(F)F)c1ccc(Br)s1
InChIInChI=1S/C11H6BrClF3NO2S2/c12-8-4-5-9(20-8)21(18,19)17-10-6(11(14,15)16)2-1-3-7(10)13/h1-5,17H
InChIKeyXTRZUCLLNHHSMJ-UHFFFAOYSA-N
XLogP4.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.66
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 1006648
5-bromo-N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiophene-2-sulfonamide
CID 22202975
5-bromo-N-(4-bromo-2,6-difluorophenyl)thiophene-2-sulfonamide
CID 65499829
5-bromo-N-(2-chloro-5-fluorophenyl)thiophene-2-sulfonamide
CID 113231173
5-bromo-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 126132426
2-chloro-N-(1-methylsulfonylpropan-2-yl)-6-(trifluoromethyl)aniline
CID 64631132
5-bromo-N-(4-tert-butylphenyl)thiophene-2-sulfonamide
CID 3559353
5-[(2-chloro-6-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 66257029
5-bromo-N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]thiophene-2-sulfonamide
CID 126180205
N-(2,6-dichlorophenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 112769183
5-bromo-N-[4-(methanesulfonamido)phenyl]thiophene-2-sulfonamide
CID 31073677
2-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylpropanamide
CID 61266948

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-chloro-6-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[2-chloro-6-(trifluoromethyl)phenyl]thiophene-2-sulfonamide (CID 61392355) is 5-bromo-N-[2-chloro-6-(trifluoromethyl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[2-chloro-6-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[2-chloro-6-(trifluoromethyl)phenyl]thiophene-2-sulfonamide is O=S(=O)(Nc1c(Cl)cccc1C(F)(F)F)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[2-chloro-6-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
The InChIKey is XTRZUCLLNHHSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrClF3NO2S2/c12-8-4-5-9(20-8)21(18,19)17-10-6(11(14,15)16)2-1-3-7(10)13/h1-5,17H.
What are the key properties of 5-bromo-N-[2-chloro-6-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
5-bromo-N-[2-chloro-6-(trifluoromethyl)phenyl]thiophene-2-sulfonamide has a molecular weight of 420.66 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-chloro-6-(trifluoromethyl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 61392355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).