2-amino-4-cyano-N-(3-cyanothiophen-2-yl)benzenesulfonamide

C12H8N4O2S2 — CID 64899347

IUPAC2-amino-4-cyano-N-(3-cyanothiophen-2-yl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2sccc2C#N)c(N)c1
InChIInChI=1S/C12H8N4O2S2/c13-6-8-1-2-11(10(15)5-8)20(17,18)16-12-9(7-14)3-4-19-12/h1-5,16H,15H2
InChIKeyBUDPQYINOZIYCF-UHFFFAOYSA-N
MW304.36 g/mol
LogP1.87
Rot. Bonds3

About 2-amino-4-cyano-N-(3-cyanothiophen-2-yl)benzenesulfonamide

2-amino-4-cyano-N-(3-cyanothiophen-2-yl)benzenesulfonamide (PubChem CID 64899347) has the molecular formula C12H8N4O2S2 and a molecular weight of 304.36 g/mol. Its IUPAC name is 2-amino-4-cyano-N-(3-cyanothiophen-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-cyano-N-(3-cyanothiophen-2-yl)benzenesulfonamide
PubChem CID64899347
Molecular FormulaC12H8N4O2S2
Molecular Weight304.36 g/mol
Exact Mass304.01
IUPAC Name2-amino-4-cyano-N-(3-cyanothiophen-2-yl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2sccc2C#N)c(N)c1
InChIInChI=1S/C12H8N4O2S2/c13-6-8-1-2-11(10(15)5-8)20(17,18)16-12-9(7-14)3-4-19-12/h1-5,16H,15H2
InChIKeyBUDPQYINOZIYCF-UHFFFAOYSA-N
XLogP1.87
TPSA119.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-cyano-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 64899112
3-amino-N-(3-cyanothiophen-2-yl)-4-fluorobenzenesulfonamide
CID 61107621
5-amino-N-(3-cyanothiophen-2-yl)-2-fluoro-3-methylbenzenesulfonamide
CID 80645700
2-amino-4-cyano-N-(2,6-dibromophenyl)benzenesulfonamide
CID 107596269
5-bromo-N-(3-cyanothiophen-2-yl)-2-methylbenzenesulfonamide
CID 61217111
2-chloro-N-(3-cyanothiophen-2-yl)pyridine-3-sulfonamide
CID 61051149
5-bromo-2-chloro-N-(3-cyanothiophen-2-yl)pyridine-3-sulfonamide
CID 61299290
2-amino-4-cyano-N-(2,3-dichlorophenyl)benzenesulfonamide
CID 64899554
2-amino-4-cyano-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 64898474
2-amino-N-(2-chloro-5-fluorophenyl)-4-cyanobenzenesulfonamide
CID 107526668
2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-cyanobenzenesulfonamide
CID 64899350
2-[5-[(3-cyanothiophen-2-yl)sulfamoyl]thiophen-2-yl]acetic acid
CID 43362142

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-cyano-N-(3-cyanothiophen-2-yl)benzenesulfonamide?
The IUPAC name of 2-amino-4-cyano-N-(3-cyanothiophen-2-yl)benzenesulfonamide (CID 64899347) is 2-amino-4-cyano-N-(3-cyanothiophen-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-cyano-N-(3-cyanothiophen-2-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-cyano-N-(3-cyanothiophen-2-yl)benzenesulfonamide is N#Cc1ccc(S(=O)(=O)Nc2sccc2C#N)c(N)c1.
What is the InChIKey of 2-amino-4-cyano-N-(3-cyanothiophen-2-yl)benzenesulfonamide?
The InChIKey is BUDPQYINOZIYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O2S2/c13-6-8-1-2-11(10(15)5-8)20(17,18)16-12-9(7-14)3-4-19-12/h1-5,16H,15H2.
What are the key properties of 2-amino-4-cyano-N-(3-cyanothiophen-2-yl)benzenesulfonamide?
2-amino-4-cyano-N-(3-cyanothiophen-2-yl)benzenesulfonamide has a molecular weight of 304.36 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-cyano-N-(3-cyanothiophen-2-yl)benzenesulfonamide is sourced from PubChem (CID 64899347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).