5-bromo-N-(2-cyano-3-fluorophenyl)-4-methylthiophene-2-sulfonamide

C12H8BrFN2O2S2 — CID 79989335

IUPAC5-bromo-N-(2-cyano-3-fluorophenyl)-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cccc(F)c2C#N)sc1Br
InChIInChI=1S/C12H8BrFN2O2S2/c1-7-5-11(19-12(7)13)20(17,18)16-10-4-2-3-9(14)8(10)6-15/h2-5,16H,1H3
InChIKeyXGWOAQNCUNSJKX-UHFFFAOYSA-N
MW375.24 g/mol
LogP3.63
Rot. Bonds3

About 5-bromo-N-(2-cyano-3-fluorophenyl)-4-methylthiophene-2-sulfonamide

5-bromo-N-(2-cyano-3-fluorophenyl)-4-methylthiophene-2-sulfonamide (PubChem CID 79989335) has the molecular formula C12H8BrFN2O2S2 and a molecular weight of 375.24 g/mol. Its IUPAC name is 5-bromo-N-(2-cyano-3-fluorophenyl)-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-cyano-3-fluorophenyl)-4-methylthiophene-2-sulfonamide
PubChem CID79989335
Molecular FormulaC12H8BrFN2O2S2
Molecular Weight375.24 g/mol
Exact Mass373.92
IUPAC Name5-bromo-N-(2-cyano-3-fluorophenyl)-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cccc(F)c2C#N)sc1Br
InChIInChI=1S/C12H8BrFN2O2S2/c1-7-5-11(19-12(7)13)20(17,18)16-10-4-2-3-9(14)8(10)6-15/h2-5,16H,1H3
InChIKeyXGWOAQNCUNSJKX-UHFFFAOYSA-N
XLogP3.63
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.24
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(3-fluoro-2-methylphenyl)-4-methylthiophene-2-sulfonamide
CID 79933429
4-bromo-N-(2-cyano-3-fluorophenyl)-3-methylbenzenesulfonamide
CID 60823914
N-(2-amino-6-fluorophenyl)-5-bromo-4-methylthiophene-2-sulfonamide
CID 81310728
5-bromo-N-(2-cyano-3-fluorophenyl)-4-methylthiophene-2-carboxamide
CID 79925633
N-(2-cyano-3-fluorophenyl)-3-methylbenzenesulfonamide
CID 43580569
4-amino-N-(2-cyano-3-fluorophenyl)thiophene-2-sulfonamide
CID 61299391
5-bromo-N-(2-iodophenyl)-4-methylthiophene-2-sulfonamide
CID 79987659
5-bromo-4-methyl-N-[2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 79998351
N-(4-amino-2-cyanophenyl)-5-bromo-4-methylthiophene-2-sulfonamide
CID 79988390
5-amino-N-(2-cyano-3-fluorophenyl)-2-methylbenzenesulfonamide
CID 43580304
3-amino-4-bromo-N-(2-cyano-3-fluorophenyl)benzenesulfonamide
CID 115328819
5-bromo-N-(2-bromo-3-pyridinyl)-4-methylthiophene-2-sulfonamide
CID 113267852

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-cyano-3-fluorophenyl)-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(2-cyano-3-fluorophenyl)-4-methylthiophene-2-sulfonamide (CID 79989335) is 5-bromo-N-(2-cyano-3-fluorophenyl)-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2-cyano-3-fluorophenyl)-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(2-cyano-3-fluorophenyl)-4-methylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)Nc2cccc(F)c2C#N)sc1Br.
What is the InChIKey of 5-bromo-N-(2-cyano-3-fluorophenyl)-4-methylthiophene-2-sulfonamide?
The InChIKey is XGWOAQNCUNSJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFN2O2S2/c1-7-5-11(19-12(7)13)20(17,18)16-10-4-2-3-9(14)8(10)6-15/h2-5,16H,1H3.
What are the key properties of 5-bromo-N-(2-cyano-3-fluorophenyl)-4-methylthiophene-2-sulfonamide?
5-bromo-N-(2-cyano-3-fluorophenyl)-4-methylthiophene-2-sulfonamide has a molecular weight of 375.24 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-cyano-3-fluorophenyl)-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 79989335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).