5-bromo-N-(4-cyano-2-methoxyphenyl)thiophene-2-sulfonamide

C12H9BrN2O3S2 — CID 104840155

IUPAC5-bromo-N-(4-cyano-2-methoxyphenyl)thiophene-2-sulfonamide
SMILESCOc1cc(C#N)ccc1NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C12H9BrN2O3S2/c1-18-10-6-8(7-14)2-3-9(10)15-20(16,17)12-5-4-11(13)19-12/h2-6,15H,1H3
InChIKeyUQUPDHZEYQLYBY-UHFFFAOYSA-N
MW373.25 g/mol
LogP3.19
Rot. Bonds4

About 5-bromo-N-(4-cyano-2-methoxyphenyl)thiophene-2-sulfonamide

5-bromo-N-(4-cyano-2-methoxyphenyl)thiophene-2-sulfonamide (PubChem CID 104840155) has the molecular formula C12H9BrN2O3S2 and a molecular weight of 373.25 g/mol. Its IUPAC name is 5-bromo-N-(4-cyano-2-methoxyphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(4-cyano-2-methoxyphenyl)thiophene-2-sulfonamide
PubChem CID104840155
Molecular FormulaC12H9BrN2O3S2
Molecular Weight373.25 g/mol
Exact Mass371.92
IUPAC Name5-bromo-N-(4-cyano-2-methoxyphenyl)thiophene-2-sulfonamide
SMILESCOc1cc(C#N)ccc1NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C12H9BrN2O3S2/c1-18-10-6-8(7-14)2-3-9(10)15-20(16,17)12-5-4-11(13)19-12/h2-6,15H,1H3
InChIKeyUQUPDHZEYQLYBY-UHFFFAOYSA-N
XLogP3.19
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyano-N-(4-cyano-2-methoxyphenyl)thiophene-2-sulfonamide
CID 106266828
N-(2-amino-4-cyanophenyl)-5-bromothiophene-2-sulfonamide
CID 78965582
N-(4-cyano-2-methoxyphenyl)sulfamoyl chloride
CID 18766652
5-cyano-N-(2,4-dimethoxyphenyl)thiophene-2-sulfonamide
CID 106266909
N-(4-cyano-2-methoxyphenyl)-2-(4-fluorophenyl)-1,3-thiazole-5-sulfonamide
CID 167476347
5-bromo-N-(4-cyano-2-pyridinyl)thiophene-2-sulfonamide
CID 86819055
N-(4-amino-2-methoxyphenyl)-5-cyanothiophene-2-sulfonamide
CID 106265098
N-(4-cyano-2-methoxyphenyl)-4-oxo-1H-pyridine-3-sulfonamide
CID 104849801
N-(4-cyano-2-methoxyphenyl)-2,2-dimethylpropane-1-sulfonamide
CID 104849226
5-bromo-N-(2,4-dibromophenyl)thiophene-2-sulfonamide
CID 22773592
5-bromo-N-(2-bromo-4-methylphenyl)thiophene-2-sulfonamide
CID 22773978
N-(5-bromo-2-methoxyphenyl)-5-methylthiophene-2-sulfonamide
CID 47310946

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-cyano-2-methoxyphenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(4-cyano-2-methoxyphenyl)thiophene-2-sulfonamide (CID 104840155) is 5-bromo-N-(4-cyano-2-methoxyphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(4-cyano-2-methoxyphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(4-cyano-2-methoxyphenyl)thiophene-2-sulfonamide is COc1cc(C#N)ccc1NS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(4-cyano-2-methoxyphenyl)thiophene-2-sulfonamide?
The InChIKey is UQUPDHZEYQLYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2O3S2/c1-18-10-6-8(7-14)2-3-9(10)15-20(16,17)12-5-4-11(13)19-12/h2-6,15H,1H3.
What are the key properties of 5-bromo-N-(4-cyano-2-methoxyphenyl)thiophene-2-sulfonamide?
5-bromo-N-(4-cyano-2-methoxyphenyl)thiophene-2-sulfonamide has a molecular weight of 373.25 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-cyano-2-methoxyphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 104840155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).