5-bromo-N-[6-(2-methoxyethylamino)-3-pyridinyl]thiophene-2-sulfonamide

C12H14BrN3O3S2 — CID 113010432

IUPAC5-bromo-N-[6-(2-methoxyethylamino)-3-pyridinyl]thiophene-2-sulfonamide
SMILESCOCCNc1ccc(NS(=O)(=O)c2ccc(Br)s2)cn1
InChIInChI=1S/C12H14BrN3O3S2/c1-19-7-6-14-11-4-2-9(8-15-11)16-21(17,18)12-5-3-10(13)20-12/h2-5,8,16H,6-7H2,1H3,(H,14,15)
InChIKeyRDIMBQHKUHMFGP-UHFFFAOYSA-N
MW392.30 g/mol
LogP2.76
Rot. Bonds7

About 5-bromo-N-[6-(2-methoxyethylamino)-3-pyridinyl]thiophene-2-sulfonamide

5-bromo-N-[6-(2-methoxyethylamino)-3-pyridinyl]thiophene-2-sulfonamide (PubChem CID 113010432) has the molecular formula C12H14BrN3O3S2 and a molecular weight of 392.30 g/mol. Its IUPAC name is 5-bromo-N-[6-(2-methoxyethylamino)-3-pyridinyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[6-(2-methoxyethylamino)-3-pyridinyl]thiophene-2-sulfonamide
PubChem CID113010432
Molecular FormulaC12H14BrN3O3S2
Molecular Weight392.30 g/mol
Exact Mass390.97
IUPAC Name5-bromo-N-[6-(2-methoxyethylamino)-3-pyridinyl]thiophene-2-sulfonamide
SMILESCOCCNc1ccc(NS(=O)(=O)c2ccc(Br)s2)cn1
InChIInChI=1S/C12H14BrN3O3S2/c1-19-7-6-14-11-4-2-9(8-15-11)16-21(17,18)12-5-3-10(13)20-12/h2-5,8,16H,6-7H2,1H3,(H,14,15)
InChIKeyRDIMBQHKUHMFGP-UHFFFAOYSA-N
XLogP2.76
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.30
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-bromo-N-[6-(2-methoxyethylamino)-3-pyridinyl]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-chloro-N-[6-(2-methoxyethylamino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113010420
5-bromo-N-[4-(2-methoxyethylamino)phenyl]thiophene-2-sulfonamide
CID 112981010
N-[6-(2-methoxyethylamino)-3-pyridinyl]benzenesulfonamide
CID 113010392
4-methoxy-N-[6-(2-methoxyethylamino)-3-pyridinyl]-2-methylbenzenesulfonamide
CID 113010409
N-[6-(2-methoxyethylamino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113010403
N-(6-amino-3-pyridinyl)-5-bromothiophene-2-sulfonamide
CID 60790488
N-[6-(2-methoxyethylamino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113010431
4-fluoro-N-[6-(2-methoxyethylamino)-3-pyridinyl]-3-methylbenzenesulfonamide
CID 113010405
N-[5-(2-methoxyethylamino)-2-pyridinyl]methanesulfonamide
CID 113025091
5-bromo-N-(4-tert-butylphenyl)thiophene-2-sulfonamide
CID 3559353
N-[6-(2-methoxyethylamino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide
CID 113039493
N-[6-(3-methoxypropylamino)-3-pyridinyl]-4-methylbenzenesulfonamide
CID 113010523

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[6-(2-methoxyethylamino)-3-pyridinyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[6-(2-methoxyethylamino)-3-pyridinyl]thiophene-2-sulfonamide (CID 113010432) is 5-bromo-N-[6-(2-methoxyethylamino)-3-pyridinyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[6-(2-methoxyethylamino)-3-pyridinyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[6-(2-methoxyethylamino)-3-pyridinyl]thiophene-2-sulfonamide is COCCNc1ccc(NS(=O)(=O)c2ccc(Br)s2)cn1.
What is the InChIKey of 5-bromo-N-[6-(2-methoxyethylamino)-3-pyridinyl]thiophene-2-sulfonamide?
The InChIKey is RDIMBQHKUHMFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O3S2/c1-19-7-6-14-11-4-2-9(8-15-11)16-21(17,18)12-5-3-10(13)20-12/h2-5,8,16H,6-7H2,1H3,(H,14,15).
What are the key properties of 5-bromo-N-[6-(2-methoxyethylamino)-3-pyridinyl]thiophene-2-sulfonamide?
5-bromo-N-[6-(2-methoxyethylamino)-3-pyridinyl]thiophene-2-sulfonamide has a molecular weight of 392.30 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[6-(2-methoxyethylamino)-3-pyridinyl]thiophene-2-sulfonamide is sourced from PubChem (CID 113010432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).