N-(5-bromo-4-methyl-2-pyridinyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide

C13H16BrN3O2S2 — CID 106070832

IUPACN-(5-bromo-4-methyl-2-pyridinyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide
SMILESCCNCc1sccc1S(=O)(=O)Nc1cc(C)c(Br)cn1
InChIInChI=1S/C13H16BrN3O2S2/c1-3-15-8-11-12(4-5-20-11)21(18,19)17-13-6-9(2)10(14)7-16-13/h4-7,15H,3,8H2,1-2H3,(H,16,17)
InChIKeyXVULYUKBPQNRJS-UHFFFAOYSA-N
MW390.33 g/mol
LogP3.12
Rot. Bonds6

About N-(5-bromo-4-methyl-2-pyridinyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide

N-(5-bromo-4-methyl-2-pyridinyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide (PubChem CID 106070832) has the molecular formula C13H16BrN3O2S2 and a molecular weight of 390.33 g/mol. Its IUPAC name is N-(5-bromo-4-methyl-2-pyridinyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-4-methyl-2-pyridinyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide
PubChem CID106070832
Molecular FormulaC13H16BrN3O2S2
Molecular Weight390.33 g/mol
Exact Mass388.99
IUPAC NameN-(5-bromo-4-methyl-2-pyridinyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide
SMILESCCNCc1sccc1S(=O)(=O)Nc1cc(C)c(Br)cn1
InChIInChI=1S/C13H16BrN3O2S2/c1-3-15-8-11-12(4-5-20-11)21(18,19)17-13-6-9(2)10(14)7-16-13/h4-7,15H,3,8H2,1-2H3,(H,16,17)
InChIKeyXVULYUKBPQNRJS-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-bromo-6-methyl-2-pyridinyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide
CID 106070393
N-(2,5-dibromophenyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide
CID 106007249
2-(ethylaminomethyl)-N-(4-fluoro-3-methylphenyl)thiophene-3-sulfonamide
CID 106056142
N-(5-bromo-3-methyl-2-pyridinyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106076794
2,5-dibromo-N-(5-bromo-4-methyl-2-pyridinyl)benzenesulfonamide
CID 79729131
N-(2-bromo-6-fluorophenyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide
CID 106089648
5-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-fluorobenzenesulfonamide
CID 79733311
5-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-2-fluorobenzenesulfonamide
CID 106070814
N-(5-bromo-4-methyl-2-pyridinyl)-2,5-dichlorobenzenesulfonamide
CID 79729132
5-bromo-N-(ethylsulfamoyl)-4-methylpyridin-2-amine
CID 114808883
N-(5-bromo-4-methyl-2-pyridinyl)-2-nitrobenzenesulfonamide
CID 79736459
N-(5-bromo-4-methyl-2-pyridinyl)-3-(ethylamino)pyridine-2-sulfonamide
CID 103306497

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide?
The IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide (CID 106070832) is N-(5-bromo-4-methyl-2-pyridinyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(5-bromo-4-methyl-2-pyridinyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-(5-bromo-4-methyl-2-pyridinyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide is CCNCc1sccc1S(=O)(=O)Nc1cc(C)c(Br)cn1.
What is the InChIKey of N-(5-bromo-4-methyl-2-pyridinyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide?
The InChIKey is XVULYUKBPQNRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O2S2/c1-3-15-8-11-12(4-5-20-11)21(18,19)17-13-6-9(2)10(14)7-16-13/h4-7,15H,3,8H2,1-2H3,(H,16,17).
What are the key properties of N-(5-bromo-4-methyl-2-pyridinyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide?
N-(5-bromo-4-methyl-2-pyridinyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide has a molecular weight of 390.33 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-methyl-2-pyridinyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106070832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).