N-(4-amino-2-cyanophenyl)-5-bromo-4-methylthiophene-2-sulfonamide

C12H10BrN3O2S2 — CID 79988390

IUPACN-(4-amino-2-cyanophenyl)-5-bromo-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(N)cc2C#N)sc1Br
InChIInChI=1S/C12H10BrN3O2S2/c1-7-4-11(19-12(7)13)20(17,18)16-10-3-2-9(15)5-8(10)6-14/h2-5,16H,15H2,1H3
InChIKeyVYIMWCPXFHSJOV-UHFFFAOYSA-N
MW372.27 g/mol
LogP3.07
Rot. Bonds3

About N-(4-amino-2-cyanophenyl)-5-bromo-4-methylthiophene-2-sulfonamide

N-(4-amino-2-cyanophenyl)-5-bromo-4-methylthiophene-2-sulfonamide (PubChem CID 79988390) has the molecular formula C12H10BrN3O2S2 and a molecular weight of 372.27 g/mol. Its IUPAC name is N-(4-amino-2-cyanophenyl)-5-bromo-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-amino-2-cyanophenyl)-5-bromo-4-methylthiophene-2-sulfonamide
PubChem CID79988390
Molecular FormulaC12H10BrN3O2S2
Molecular Weight372.27 g/mol
Exact Mass370.94
IUPAC NameN-(4-amino-2-cyanophenyl)-5-bromo-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(N)cc2C#N)sc1Br
InChIInChI=1S/C12H10BrN3O2S2/c1-7-4-11(19-12(7)13)20(17,18)16-10-3-2-9(15)5-8(10)6-14/h2-5,16H,15H2,1H3
InChIKeyVYIMWCPXFHSJOV-UHFFFAOYSA-N
XLogP3.07
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.27
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-2-bromophenyl)-5-bromo-4-methylthiophene-2-sulfonamide
CID 79988514
N-(4-bromo-2-cyanophenyl)-5-methylthiophene-2-sulfonamide
CID 82708384
5-bromo-N-(2-cyano-3-fluorophenyl)-4-methylthiophene-2-sulfonamide
CID 79989335
N-(4-amino-2-cyanophenyl)-3-methylbenzenesulfonamide
CID 43550814
4-amino-N-(4-bromo-2-cyanophenyl)-3-methylbenzenesulfonamide
CID 82692234
N-(4-amino-2-cyanophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929854
5-bromo-N-(2-iodophenyl)-4-methylthiophene-2-sulfonamide
CID 79987659
4-amino-N-(4-bromo-2-cyanophenyl)-2-fluorobenzenesulfonamide
CID 82692232
N-[2-(4-aminophenyl)ethyl]-5-bromo-4-methylthiophene-2-sulfonamide
CID 79987465
4-amino-2-cyano-N-(2-methylphenyl)benzenesulfonamide
CID 43256224
5-bromo-N-(2-bromo-3-pyridinyl)-4-methylthiophene-2-sulfonamide
CID 113267852
5-bromo-N-(4-hydroxy-2,5-dimethylphenyl)-4-methylthiophene-2-sulfonamide
CID 106831901

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-cyanophenyl)-5-bromo-4-methylthiophene-2-sulfonamide?
The IUPAC name of N-(4-amino-2-cyanophenyl)-5-bromo-4-methylthiophene-2-sulfonamide (CID 79988390) is N-(4-amino-2-cyanophenyl)-5-bromo-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-(4-amino-2-cyanophenyl)-5-bromo-4-methylthiophene-2-sulfonamide?
The canonical SMILES for N-(4-amino-2-cyanophenyl)-5-bromo-4-methylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)Nc2ccc(N)cc2C#N)sc1Br.
What is the InChIKey of N-(4-amino-2-cyanophenyl)-5-bromo-4-methylthiophene-2-sulfonamide?
The InChIKey is VYIMWCPXFHSJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O2S2/c1-7-4-11(19-12(7)13)20(17,18)16-10-3-2-9(15)5-8(10)6-14/h2-5,16H,15H2,1H3.
What are the key properties of N-(4-amino-2-cyanophenyl)-5-bromo-4-methylthiophene-2-sulfonamide?
N-(4-amino-2-cyanophenyl)-5-bromo-4-methylthiophene-2-sulfonamide has a molecular weight of 372.27 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-cyanophenyl)-5-bromo-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 79988390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).