N-(8-aminoquinolin-5-yl)-5-methylthiophene-2-sulfonamide

C14H13N3O2S2 — CID 104826570

IUPACN-(8-aminoquinolin-5-yl)-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(N)c3ncccc23)s1
InChIInChI=1S/C14H13N3O2S2/c1-9-4-7-13(20-9)21(18,19)17-12-6-5-11(15)14-10(12)3-2-8-16-14/h2-8,17H,15H2,1H3
InChIKeyAUXKKQFUHGSXSL-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.99
Rot. Bonds3

About N-(8-aminoquinolin-5-yl)-5-methylthiophene-2-sulfonamide

N-(8-aminoquinolin-5-yl)-5-methylthiophene-2-sulfonamide (PubChem CID 104826570) has the molecular formula C14H13N3O2S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-(8-aminoquinolin-5-yl)-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(8-aminoquinolin-5-yl)-5-methylthiophene-2-sulfonamide
PubChem CID104826570
Molecular FormulaC14H13N3O2S2
Molecular Weight319.41 g/mol
Exact Mass319.04
IUPAC NameN-(8-aminoquinolin-5-yl)-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(N)c3ncccc23)s1
InChIInChI=1S/C14H13N3O2S2/c1-9-4-7-13(20-9)21(18,19)17-12-6-5-11(15)14-10(12)3-2-8-16-14/h2-8,17H,15H2,1H3
InChIKeyAUXKKQFUHGSXSL-UHFFFAOYSA-N
XLogP2.99
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.99
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-(8-aminoquinolin-5-yl)benzenesulfonamide
CID 104826550
N-(8-aminoquinolin-5-yl)-5-methylthiophene-2-carboxamide
CID 104826414
N-(2-aminophenyl)-5-methylthiophene-2-sulfonamide
CID 28783373
5-N-(propylsulfamoyl)quinoline-5,8-diamine
CID 114804992
N-(6-amino-2,3-dimethylphenyl)-5-methylthiophene-2-sulfonamide
CID 43550595
N-(4-amino-2-methylphenyl)-5-methylthiophene-2-sulfonamide
CID 28783297
N-(8-aminoquinolin-5-yl)-2-propan-2-yloxyethanesulfonamide
CID 104826554
5-N-(4-methylphenyl)quinoline-5,8-diamine
CID 43449531
N-(6-amino-1,3-benzodioxol-5-yl)-5-methylthiophene-2-sulfonamide
CID 43550425
N-(8-aminoquinolin-5-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 104826457
5-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]thiophene-2-sulfonamide
CID 60532352
N-(8-aminoquinolin-5-yl)-2-propylpentanamide
CID 104826496

Frequently Asked Questions

What is the IUPAC name of N-(8-aminoquinolin-5-yl)-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-(8-aminoquinolin-5-yl)-5-methylthiophene-2-sulfonamide (CID 104826570) is N-(8-aminoquinolin-5-yl)-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-(8-aminoquinolin-5-yl)-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-(8-aminoquinolin-5-yl)-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(N)c3ncccc23)s1.
What is the InChIKey of N-(8-aminoquinolin-5-yl)-5-methylthiophene-2-sulfonamide?
The InChIKey is AUXKKQFUHGSXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S2/c1-9-4-7-13(20-9)21(18,19)17-12-6-5-11(15)14-10(12)3-2-8-16-14/h2-8,17H,15H2,1H3.
What are the key properties of N-(8-aminoquinolin-5-yl)-5-methylthiophene-2-sulfonamide?
N-(8-aminoquinolin-5-yl)-5-methylthiophene-2-sulfonamide has a molecular weight of 319.41 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-aminoquinolin-5-yl)-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 104826570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).