5-cyano-N-(1,2,3,4-tetrahydroquinolin-6-yl)thiophene-2-sulfonamide

C14H13N3O2S2 — CID 106272829

IUPAC5-cyano-N-(1,2,3,4-tetrahydroquinolin-6-yl)thiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3)s1
InChIInChI=1S/C14H13N3O2S2/c15-9-12-4-6-14(20-12)21(18,19)17-11-3-5-13-10(8-11)2-1-7-16-13/h3-6,8,16-17H,1-2,7H2
InChIKeyFBVJTYJKMNZGTK-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.78
Rot. Bonds3

About 5-cyano-N-(1,2,3,4-tetrahydroquinolin-6-yl)thiophene-2-sulfonamide

5-cyano-N-(1,2,3,4-tetrahydroquinolin-6-yl)thiophene-2-sulfonamide (PubChem CID 106272829) has the molecular formula C14H13N3O2S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 5-cyano-N-(1,2,3,4-tetrahydroquinolin-6-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-(1,2,3,4-tetrahydroquinolin-6-yl)thiophene-2-sulfonamide
PubChem CID106272829
Molecular FormulaC14H13N3O2S2
Molecular Weight319.41 g/mol
Exact Mass319.04
IUPAC Name5-cyano-N-(1,2,3,4-tetrahydroquinolin-6-yl)thiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3)s1
InChIInChI=1S/C14H13N3O2S2/c15-9-12-4-6-14(20-12)21(18,19)17-11-3-5-13-10(8-11)2-1-7-16-13/h3-6,8,16-17H,1-2,7H2
InChIKeyFBVJTYJKMNZGTK-UHFFFAOYSA-N
XLogP2.78
TPSA81.99 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 ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-cyano-N-(1,2,3,4-tetrahydroquinolin-6-yl)thiophene-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

2-fluoro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide
CID 62632226
2-cyano-N-(2,3-dihydro-1H-indol-5-yl)benzenesulfonamide
CID 43604300
N-(2,3-dihydro-1H-indol-5-yl)benzenesulfonamide
CID 43604199
N-(4-amino-3-methylphenyl)-5-cyanothiophene-2-sulfonamide
CID 106265196
5-cyano-N-(4-hydroxyphenyl)thiophene-2-sulfonamide
CID 106269600
N-(3-chloro-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106267208
5-cyano-N-(3-iodo-4-methylphenyl)thiophene-2-sulfonamide
CID 114189417
N-(3-chloro-4-hydroxyphenyl)-5-cyanothiophene-2-sulfonamide
CID 106272309
5-cyano-N-quinolin-6-ylthiophene-2-sulfonamide
CID 106268086
5-cyano-N-(4-methylsulfanylphenyl)thiophene-2-sulfonamide
CID 106266948
N-(4-iodophenyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 28976761
3-[(5-cyanothiophen-2-yl)sulfonylamino]benzoic acid
CID 106265350

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(1,2,3,4-tetrahydroquinolin-6-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-(1,2,3,4-tetrahydroquinolin-6-yl)thiophene-2-sulfonamide (CID 106272829) is 5-cyano-N-(1,2,3,4-tetrahydroquinolin-6-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-(1,2,3,4-tetrahydroquinolin-6-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-(1,2,3,4-tetrahydroquinolin-6-yl)thiophene-2-sulfonamide is N#Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3)s1.
What is the InChIKey of 5-cyano-N-(1,2,3,4-tetrahydroquinolin-6-yl)thiophene-2-sulfonamide?
The InChIKey is FBVJTYJKMNZGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S2/c15-9-12-4-6-14(20-12)21(18,19)17-11-3-5-13-10(8-11)2-1-7-16-13/h3-6,8,16-17H,1-2,7H2.
What are the key properties of 5-cyano-N-(1,2,3,4-tetrahydroquinolin-6-yl)thiophene-2-sulfonamide?
5-cyano-N-(1,2,3,4-tetrahydroquinolin-6-yl)thiophene-2-sulfonamide has a molecular weight of 319.41 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(1,2,3,4-tetrahydroquinolin-6-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 106272829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).