N-[(3-aminophenyl)methyl]-5-cyanothiophene-2-sulfonamide

C12H11N3O2S2 — CID 106265208

IUPACN-[(3-aminophenyl)methyl]-5-cyanothiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCc2cccc(N)c2)s1
InChIInChI=1S/C12H11N3O2S2/c13-7-11-4-5-12(18-11)19(16,17)15-8-9-2-1-3-10(14)6-9/h1-6,15H,8,14H2
InChIKeyZCDIRIDGDARKBI-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.68
Rot. Bonds4

About N-[(3-aminophenyl)methyl]-5-cyanothiophene-2-sulfonamide

N-[(3-aminophenyl)methyl]-5-cyanothiophene-2-sulfonamide (PubChem CID 106265208) has the molecular formula C12H11N3O2S2 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-5-cyanothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-5-cyanothiophene-2-sulfonamide
PubChem CID106265208
Molecular FormulaC12H11N3O2S2
Molecular Weight293.37 g/mol
Exact Mass293.03
IUPAC NameN-[(3-aminophenyl)methyl]-5-cyanothiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCc2cccc(N)c2)s1
InChIInChI=1S/C12H11N3O2S2/c13-7-11-4-5-12(18-11)19(16,17)15-8-9-2-1-3-10(14)6-9/h1-6,15H,8,14H2
InChIKeyZCDIRIDGDARKBI-UHFFFAOYSA-N
XLogP1.68
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(3-aminophenyl)methyl]-5-cyanothiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-cyano-N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-2-sulfonamide
CID 106272347
5-cyano-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
CID 106267194
5-cyano-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-sulfonamide
CID 106267955
5-cyano-N-[3-(hydroxymethyl)phenyl]thiophene-2-sulfonamide
CID 106272386
5-cyano-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 106267146
N-[(5-amino-1H-pyrazol-4-yl)methyl]-5-cyanothiophene-2-sulfonamide
CID 106272939
5-cyano-N-(3-methylsulfonylpropyl)thiophene-2-sulfonamide
CID 114166224
5-cyano-N-[(5-methylthiophen-2-yl)methyl]thiophene-2-sulfonamide
CID 106268021
5-cyano-N-(cyclopentylmethyl)thiophene-2-sulfonamide
CID 106267298
5-cyano-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-sulfonamide
CID 106267722
N-butyl-5-cyanothiophene-2-sulfonamide
CID 106266954
5-cyano-N-(1,3-thiazol-2-ylmethyl)thiophene-2-sulfonamide
CID 114166198

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-5-cyanothiophene-2-sulfonamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-5-cyanothiophene-2-sulfonamide (CID 106265208) is N-[(3-aminophenyl)methyl]-5-cyanothiophene-2-sulfonamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-5-cyanothiophene-2-sulfonamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-5-cyanothiophene-2-sulfonamide is N#Cc1ccc(S(=O)(=O)NCc2cccc(N)c2)s1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-5-cyanothiophene-2-sulfonamide?
The InChIKey is ZCDIRIDGDARKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S2/c13-7-11-4-5-12(18-11)19(16,17)15-8-9-2-1-3-10(14)6-9/h1-6,15H,8,14H2.
What are the key properties of N-[(3-aminophenyl)methyl]-5-cyanothiophene-2-sulfonamide?
N-[(3-aminophenyl)methyl]-5-cyanothiophene-2-sulfonamide has a molecular weight of 293.37 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-5-cyanothiophene-2-sulfonamide is sourced from PubChem (CID 106265208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).