5-bromo-2-(ethylamino)-N-(1-thiophen-2-ylethyl)pyridine-3-sulfonamide

C13H16BrN3O2S2 — CID 62148004

IUPAC5-bromo-2-(ethylamino)-N-(1-thiophen-2-ylethyl)pyridine-3-sulfonamide
SMILESCCNc1ncc(Br)cc1S(=O)(=O)NC(C)c1cccs1
InChIInChI=1S/C13H16BrN3O2S2/c1-3-15-13-12(7-10(14)8-16-13)21(18,19)17-9(2)11-5-4-6-20-11/h4-9,17H,3H2,1-2H3,(H,15,16)
InChIKeyCFSJZNBIDFUSLH-UHFFFAOYSA-N
MW390.33 g/mol
LogP3.38
Rot. Bonds6

About 5-bromo-2-(ethylamino)-N-(1-thiophen-2-ylethyl)pyridine-3-sulfonamide

5-bromo-2-(ethylamino)-N-(1-thiophen-2-ylethyl)pyridine-3-sulfonamide (PubChem CID 62148004) has the molecular formula C13H16BrN3O2S2 and a molecular weight of 390.33 g/mol. Its IUPAC name is 5-bromo-2-(ethylamino)-N-(1-thiophen-2-ylethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-(ethylamino)-N-(1-thiophen-2-ylethyl)pyridine-3-sulfonamide
PubChem CID62148004
Molecular FormulaC13H16BrN3O2S2
Molecular Weight390.33 g/mol
Exact Mass388.99
IUPAC Name5-bromo-2-(ethylamino)-N-(1-thiophen-2-ylethyl)pyridine-3-sulfonamide
SMILESCCNc1ncc(Br)cc1S(=O)(=O)NC(C)c1cccs1
InChIInChI=1S/C13H16BrN3O2S2/c1-3-15-13-12(7-10(14)8-16-13)21(18,19)17-9(2)11-5-4-6-20-11/h4-9,17H,3H2,1-2H3,(H,15,16)
InChIKeyCFSJZNBIDFUSLH-UHFFFAOYSA-N
XLogP3.38
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.33
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-bromo-2-(ethylamino)-N-(1-thiophen-2-ylethyl)pyridine-3-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-bromo-2-(ethylamino)-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 62169182
2,5-dibromo-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 43001328
5-bromo-2-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 62148821
2-[[5-bromo-2-(ethylamino)-3-pyridinyl]sulfonylamino]-N-methylpropanamide
CID 62159404
5-bromo-2-(ethylamino)-N-(2-propan-2-yloxyethyl)pyridine-3-sulfonamide
CID 104765396
5-bromo-N-methyl-2-(methylamino)-N-(1-thiophen-2-ylethyl)pyridine-3-sulfonamide
CID 62156722
2-amino-5-bromo-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-sulfonamide
CID 63295984
4-amino-2-bromo-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 43534326
2-bromo-4-fluoro-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 47257678
5-bromo-2-(ethylamino)-N-(2-fluorophenyl)pyridine-3-sulfonamide
CID 62143490
4-bromo-2,6-dichloro-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 43001330
5-bromo-2-(ethylamino)-N-[2-(methanesulfonamido)ethyl]pyridine-3-sulfonamide
CID 62146629

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(ethylamino)-N-(1-thiophen-2-ylethyl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-(ethylamino)-N-(1-thiophen-2-ylethyl)pyridine-3-sulfonamide (CID 62148004) is 5-bromo-2-(ethylamino)-N-(1-thiophen-2-ylethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-(ethylamino)-N-(1-thiophen-2-ylethyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-(ethylamino)-N-(1-thiophen-2-ylethyl)pyridine-3-sulfonamide is CCNc1ncc(Br)cc1S(=O)(=O)NC(C)c1cccs1.
What is the InChIKey of 5-bromo-2-(ethylamino)-N-(1-thiophen-2-ylethyl)pyridine-3-sulfonamide?
The InChIKey is CFSJZNBIDFUSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O2S2/c1-3-15-13-12(7-10(14)8-16-13)21(18,19)17-9(2)11-5-4-6-20-11/h4-9,17H,3H2,1-2H3,(H,15,16).
What are the key properties of 5-bromo-2-(ethylamino)-N-(1-thiophen-2-ylethyl)pyridine-3-sulfonamide?
5-bromo-2-(ethylamino)-N-(1-thiophen-2-ylethyl)pyridine-3-sulfonamide has a molecular weight of 390.33 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(ethylamino)-N-(1-thiophen-2-ylethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 62148004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).