5-bromo-N-(3-cyanothiophen-2-yl)-2-methylbenzenesulfonamide

C12H9BrN2O2S2 — CID 61217111

IUPAC5-bromo-N-(3-cyanothiophen-2-yl)-2-methylbenzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)Nc1sccc1C#N
InChIInChI=1S/C12H9BrN2O2S2/c1-8-2-3-10(13)6-11(8)19(16,17)15-12-9(7-14)4-5-18-12/h2-6,15H,1H3
InChIKeyVHPHPBYDKGWMFB-UHFFFAOYSA-N
MW357.25 g/mol
LogP3.49
Rot. Bonds3

About 5-bromo-N-(3-cyanothiophen-2-yl)-2-methylbenzenesulfonamide

5-bromo-N-(3-cyanothiophen-2-yl)-2-methylbenzenesulfonamide (PubChem CID 61217111) has the molecular formula C12H9BrN2O2S2 and a molecular weight of 357.25 g/mol. Its IUPAC name is 5-bromo-N-(3-cyanothiophen-2-yl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-(3-cyanothiophen-2-yl)-2-methylbenzenesulfonamide
PubChem CID61217111
Molecular FormulaC12H9BrN2O2S2
Molecular Weight357.25 g/mol
Exact Mass355.93
IUPAC Name5-bromo-N-(3-cyanothiophen-2-yl)-2-methylbenzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)Nc1sccc1C#N
InChIInChI=1S/C12H9BrN2O2S2/c1-8-2-3-10(13)6-11(8)19(16,17)15-12-9(7-14)4-5-18-12/h2-6,15H,1H3
InChIKeyVHPHPBYDKGWMFB-UHFFFAOYSA-N
XLogP3.49
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(2-cyanophenyl)-2-methylbenzenesulfonamide
CID 8513690
5-bromo-2-chloro-N-(3-cyanothiophen-2-yl)pyridine-3-sulfonamide
CID 61299290
5-amino-N-(3-cyanothiophen-2-yl)-2-fluoro-3-methylbenzenesulfonamide
CID 80645700
5-bromo-N-(3-cyano-4-fluorophenyl)-2-methylbenzenesulfonamide
CID 62316181
5-bromo-N-(2-bromo-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 61217646
3-[(5-bromo-2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 43443081
2-amino-4-cyano-N-(3-cyanothiophen-2-yl)benzenesulfonamide
CID 64899347
5-bromo-N-(2-chloro-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 103791841
2-chloro-N-(3-cyanothiophen-2-yl)pyridine-3-sulfonamide
CID 61051149
3-[(3-cyanothiophen-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102747957
N-(5-bromo-2-cyanophenyl)-3,4-dimethylbenzenesulfonamide
CID 104878072
2-(4-bromoanilino)-N-(3-cyanothiophen-2-yl)acetamide
CID 17428824

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-cyanothiophen-2-yl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-bromo-N-(3-cyanothiophen-2-yl)-2-methylbenzenesulfonamide (CID 61217111) is 5-bromo-N-(3-cyanothiophen-2-yl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-(3-cyanothiophen-2-yl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-bromo-N-(3-cyanothiophen-2-yl)-2-methylbenzenesulfonamide is Cc1ccc(Br)cc1S(=O)(=O)Nc1sccc1C#N.
What is the InChIKey of 5-bromo-N-(3-cyanothiophen-2-yl)-2-methylbenzenesulfonamide?
The InChIKey is VHPHPBYDKGWMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2O2S2/c1-8-2-3-10(13)6-11(8)19(16,17)15-12-9(7-14)4-5-18-12/h2-6,15H,1H3.
What are the key properties of 5-bromo-N-(3-cyanothiophen-2-yl)-2-methylbenzenesulfonamide?
5-bromo-N-(3-cyanothiophen-2-yl)-2-methylbenzenesulfonamide has a molecular weight of 357.25 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-cyanothiophen-2-yl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 61217111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).