5-bromo-4-methyl-N-[2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide

C12H9BrF3NO2S2 — CID 79998351

IUPAC5-bromo-4-methyl-N-[2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccccc2C(F)(F)F)sc1Br
InChIInChI=1S/C12H9BrF3NO2S2/c1-7-6-10(20-11(7)13)21(18,19)17-9-5-3-2-4-8(9)12(14,15)16/h2-6,17H,1H3
InChIKeyYVRAOOOPDPWQQH-UHFFFAOYSA-N
MW400.24 g/mol
LogP4.64
Rot. Bonds3

About 5-bromo-4-methyl-N-[2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide

5-bromo-4-methyl-N-[2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide (PubChem CID 79998351) has the molecular formula C12H9BrF3NO2S2 and a molecular weight of 400.24 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-[2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-4-methyl-N-[2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
PubChem CID79998351
Molecular FormulaC12H9BrF3NO2S2
Molecular Weight400.24 g/mol
Exact Mass398.92
IUPAC Name5-bromo-4-methyl-N-[2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccccc2C(F)(F)F)sc1Br
InChIInChI=1S/C12H9BrF3NO2S2/c1-7-6-10(20-11(7)13)21(18,19)17-9-5-3-2-4-8(9)12(14,15)16/h2-6,17H,1H3
InChIKeyYVRAOOOPDPWQQH-UHFFFAOYSA-N
XLogP4.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.24
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(2-tert-butylphenyl)-4-methylthiophene-2-sulfonamide
CID 79998829
5-bromo-N-(2-iodophenyl)-4-methylthiophene-2-sulfonamide
CID 79987659
5-bromo-N-(3-fluoro-2-methylphenyl)-4-methylthiophene-2-sulfonamide
CID 79933429
5-bromo-N-(2-bromo-3-pyridinyl)-4-methylthiophene-2-sulfonamide
CID 113267852
methyl 2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]benzoate
CID 79912735
5-bromo-N-(3-chloro-2-hydroxyphenyl)-4-methylthiophene-2-sulfonamide
CID 79933842
5-bromo-N-(2-cyano-3-fluorophenyl)-4-methylthiophene-2-sulfonamide
CID 79989335
2,5-dibromo-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2497166
2,5-dimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 22774165
2,3,4,5,6-pentamethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3861159
5-bromo-N-(4-fluorophenyl)-4-methylthiophene-2-sulfonamide
CID 79933721
N-(4-amino-2-bromophenyl)-5-bromo-4-methylthiophene-2-sulfonamide
CID 79988514

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-[2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-4-methyl-N-[2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide (CID 79998351) is 5-bromo-4-methyl-N-[2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-4-methyl-N-[2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-4-methyl-N-[2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide is Cc1cc(S(=O)(=O)Nc2ccccc2C(F)(F)F)sc1Br.
What is the InChIKey of 5-bromo-4-methyl-N-[2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
The InChIKey is YVRAOOOPDPWQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF3NO2S2/c1-7-6-10(20-11(7)13)21(18,19)17-9-5-3-2-4-8(9)12(14,15)16/h2-6,17H,1H3.
What are the key properties of 5-bromo-4-methyl-N-[2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
5-bromo-4-methyl-N-[2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide has a molecular weight of 400.24 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-[2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 79998351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).