4-amino-N-(3,4-dicyanophenyl)thiophene-2-sulfonamide

C12H8N4O2S2 — CID 107786924

IUPAC4-amino-N-(3,4-dicyanophenyl)thiophene-2-sulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)c2cc(N)cs2)cc1C#N
InChIInChI=1S/C12H8N4O2S2/c13-5-8-1-2-11(3-9(8)6-14)16-20(17,18)12-4-10(15)7-19-12/h1-4,7,16H,15H2
InChIKeyBXXDPAPXPMSMIU-UHFFFAOYSA-N
MW304.36 g/mol
LogP1.87
Rot. Bonds3

About 4-amino-N-(3,4-dicyanophenyl)thiophene-2-sulfonamide

4-amino-N-(3,4-dicyanophenyl)thiophene-2-sulfonamide (PubChem CID 107786924) has the molecular formula C12H8N4O2S2 and a molecular weight of 304.36 g/mol. Its IUPAC name is 4-amino-N-(3,4-dicyanophenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-amino-N-(3,4-dicyanophenyl)thiophene-2-sulfonamide
PubChem CID107786924
Molecular FormulaC12H8N4O2S2
Molecular Weight304.36 g/mol
Exact Mass304.01
IUPAC Name4-amino-N-(3,4-dicyanophenyl)thiophene-2-sulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)c2cc(N)cs2)cc1C#N
InChIInChI=1S/C12H8N4O2S2/c13-5-8-1-2-11(3-9(8)6-14)16-20(17,18)12-4-10(15)7-19-12/h1-4,7,16H,15H2
InChIKeyBXXDPAPXPMSMIU-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

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Related Compounds

4-amino-N-(4-chlorophenyl)thiophene-2-sulfonamide
CID 61301108
4-amino-N-(4-chloro-3-fluorophenyl)thiophene-2-sulfonamide
CID 54955525
4-amino-N-[3-(dimethylamino)-4-methylphenyl]thiophene-2-sulfonamide
CID 115375941
5-[(3-chloro-4-cyanophenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 43236887
N-(3,4-dicyanophenyl)benzenesulfonamide
CID 113220864
4-amino-N-(3,5-dimethoxyphenyl)thiophene-2-sulfonamide
CID 61299375
4-amino-N-[4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide
CID 61299189
4-amino-N-(2-cyano-3-fluorophenyl)thiophene-2-sulfonamide
CID 61299391
4-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]thiophene-2-sulfonamide
CID 106909778
4-amino-N-(3,4-dicyanophenyl)pyridine-3-sulfonamide
CID 107793321
methyl 5-[(4-aminothiophen-2-yl)sulfonylamino]-2-fluorobenzoate
CID 61300948
methyl N-[3-[(4-aminothiophen-2-yl)sulfonylamino]phenyl]carbamate
CID 61299815

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3,4-dicyanophenyl)thiophene-2-sulfonamide?
The IUPAC name of 4-amino-N-(3,4-dicyanophenyl)thiophene-2-sulfonamide (CID 107786924) is 4-amino-N-(3,4-dicyanophenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-amino-N-(3,4-dicyanophenyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-amino-N-(3,4-dicyanophenyl)thiophene-2-sulfonamide is N#Cc1ccc(NS(=O)(=O)c2cc(N)cs2)cc1C#N.
What is the InChIKey of 4-amino-N-(3,4-dicyanophenyl)thiophene-2-sulfonamide?
The InChIKey is BXXDPAPXPMSMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O2S2/c13-5-8-1-2-11(3-9(8)6-14)16-20(17,18)12-4-10(15)7-19-12/h1-4,7,16H,15H2.
What are the key properties of 4-amino-N-(3,4-dicyanophenyl)thiophene-2-sulfonamide?
4-amino-N-(3,4-dicyanophenyl)thiophene-2-sulfonamide 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 4-amino-N-(3,4-dicyanophenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 107786924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).