N-(3-bromo-2-pyridinyl)-5-[2-(ethylamino)ethyl]thiophene-2-sulfonamide

C13H16BrN3O2S2 — CID 106062129

IUPACN-(3-bromo-2-pyridinyl)-5-[2-(ethylamino)ethyl]thiophene-2-sulfonamide
SMILESCCNCCc1ccc(S(=O)(=O)Nc2ncccc2Br)s1
InChIInChI=1S/C13H16BrN3O2S2/c1-2-15-9-7-10-5-6-12(20-10)21(18,19)17-13-11(14)4-3-8-16-13/h3-6,8,15H,2,7,9H2,1H3,(H,16,17)
InChIKeySFWXMFVHTUEHSQ-UHFFFAOYSA-N
MW390.33 g/mol
LogP2.86
Rot. Bonds7

About N-(3-bromo-2-pyridinyl)-5-[2-(ethylamino)ethyl]thiophene-2-sulfonamide

N-(3-bromo-2-pyridinyl)-5-[2-(ethylamino)ethyl]thiophene-2-sulfonamide (PubChem CID 106062129) has the molecular formula C13H16BrN3O2S2 and a molecular weight of 390.33 g/mol. Its IUPAC name is N-(3-bromo-2-pyridinyl)-5-[2-(ethylamino)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-bromo-2-pyridinyl)-5-[2-(ethylamino)ethyl]thiophene-2-sulfonamide
PubChem CID106062129
Molecular FormulaC13H16BrN3O2S2
Molecular Weight390.33 g/mol
Exact Mass388.99
IUPAC NameN-(3-bromo-2-pyridinyl)-5-[2-(ethylamino)ethyl]thiophene-2-sulfonamide
SMILESCCNCCc1ccc(S(=O)(=O)Nc2ncccc2Br)s1
InChIInChI=1S/C13H16BrN3O2S2/c1-2-15-9-7-10-5-6-12(20-10)21(18,19)17-13-11(14)4-3-8-16-13/h3-6,8,15H,2,7,9H2,1H3,(H,16,17)
InChIKeySFWXMFVHTUEHSQ-UHFFFAOYSA-N
XLogP2.86
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.33
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-bromo-2-pyridinyl)-5-[2-(ethylamino)ethyl]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

5-[2-(ethylamino)ethyl]-N-(4-iodophenyl)thiophene-2-sulfonamide
CID 106029593
N-(3-bromo-2-pyridinyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106062188
5-[2-(ethylamino)ethyl]-N-pyrimidin-5-ylthiophene-2-sulfonamide
CID 106088598
5-[2-(ethylamino)ethyl]-N-(4-methyl-3-pyridinyl)thiophene-2-sulfonamide
CID 106063105
N-(3-bromo-2-pyridinyl)-4-(ethylamino)butane-1-sulfonamide
CID 106062119
N-(4-chlorophenyl)-5-[2-(ethylamino)ethyl]thiophene-2-sulfonamide
CID 106060756
N-(3-chlorophenyl)-5-[2-(ethylamino)ethyl]thiophene-2-sulfonamide
CID 106060431
5-[2-(propan-2-ylamino)ethyl]-N-pyrimidin-2-ylthiophene-2-sulfonamide
CID 106072041
5-ethyl-N-pyrimidin-2-ylthiophene-2-sulfonamide
CID 75517993
N-(3-bromo-2-pyridinyl)-3-(ethylamino)pyridine-2-sulfonamide
CID 103306363
5-(2-aminoethyl)-N-(2,6-dibromophenyl)thiophene-2-sulfonamide
CID 107601110
5-[2-(ethylamino)ethyl]-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide
CID 106018814

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-pyridinyl)-5-[2-(ethylamino)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-(3-bromo-2-pyridinyl)-5-[2-(ethylamino)ethyl]thiophene-2-sulfonamide (CID 106062129) is N-(3-bromo-2-pyridinyl)-5-[2-(ethylamino)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-(3-bromo-2-pyridinyl)-5-[2-(ethylamino)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-(3-bromo-2-pyridinyl)-5-[2-(ethylamino)ethyl]thiophene-2-sulfonamide is CCNCCc1ccc(S(=O)(=O)Nc2ncccc2Br)s1.
What is the InChIKey of N-(3-bromo-2-pyridinyl)-5-[2-(ethylamino)ethyl]thiophene-2-sulfonamide?
The InChIKey is SFWXMFVHTUEHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O2S2/c1-2-15-9-7-10-5-6-12(20-10)21(18,19)17-13-11(14)4-3-8-16-13/h3-6,8,15H,2,7,9H2,1H3,(H,16,17).
What are the key properties of N-(3-bromo-2-pyridinyl)-5-[2-(ethylamino)ethyl]thiophene-2-sulfonamide?
N-(3-bromo-2-pyridinyl)-5-[2-(ethylamino)ethyl]thiophene-2-sulfonamide has a molecular weight of 390.33 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-pyridinyl)-5-[2-(ethylamino)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106062129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).