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

C12H14BrN3O2S2 — CID 79729691

IUPAC5-(2-aminoethyl)-N-(5-bromo-4-methyl-2-pyridinyl)thiophene-2-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(CCN)s2)ncc1Br
InChIInChI=1S/C12H14BrN3O2S2/c1-8-6-11(15-7-10(8)13)16-20(17,18)12-3-2-9(19-12)4-5-14/h2-3,6-7H,4-5,14H2,1H3,(H,15,16)
InChIKeyHNLFVPSULKUQOT-UHFFFAOYSA-N
MW376.30 g/mol
LogP2.52
Rot. Bonds5

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

5-(2-aminoethyl)-N-(5-bromo-4-methyl-2-pyridinyl)thiophene-2-sulfonamide (PubChem CID 79729691) has the molecular formula C12H14BrN3O2S2 and a molecular weight of 376.30 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-(5-bromo-4-methyl-2-pyridinyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-(5-bromo-4-methyl-2-pyridinyl)thiophene-2-sulfonamide
PubChem CID79729691
Molecular FormulaC12H14BrN3O2S2
Molecular Weight376.30 g/mol
Exact Mass374.97
IUPAC Name5-(2-aminoethyl)-N-(5-bromo-4-methyl-2-pyridinyl)thiophene-2-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(CCN)s2)ncc1Br
InChIInChI=1S/C12H14BrN3O2S2/c1-8-6-11(15-7-10(8)13)16-20(17,18)12-3-2-9(19-12)4-5-14/h2-3,6-7H,4-5,14H2,1H3,(H,15,16)
InChIKeyHNLFVPSULKUQOT-UHFFFAOYSA-N
XLogP2.52
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.30
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-(5-bromo-4-methyl-2-pyridinyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(2-aminoethyl)-N-(5-bromo-4-methyl-2-pyridinyl)thiophene-2-sulfonamide (CID 79729691) is 5-(2-aminoethyl)-N-(5-bromo-4-methyl-2-pyridinyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(2-aminoethyl)-N-(5-bromo-4-methyl-2-pyridinyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(2-aminoethyl)-N-(5-bromo-4-methyl-2-pyridinyl)thiophene-2-sulfonamide is Cc1cc(NS(=O)(=O)c2ccc(CCN)s2)ncc1Br.
What is the InChIKey of 5-(2-aminoethyl)-N-(5-bromo-4-methyl-2-pyridinyl)thiophene-2-sulfonamide?
The InChIKey is HNLFVPSULKUQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O2S2/c1-8-6-11(15-7-10(8)13)16-20(17,18)12-3-2-9(19-12)4-5-14/h2-3,6-7H,4-5,14H2,1H3,(H,15,16).
What are the key properties of 5-(2-aminoethyl)-N-(5-bromo-4-methyl-2-pyridinyl)thiophene-2-sulfonamide?
5-(2-aminoethyl)-N-(5-bromo-4-methyl-2-pyridinyl)thiophene-2-sulfonamide has a molecular weight of 376.30 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-(5-bromo-4-methyl-2-pyridinyl)thiophene-2-sulfonamide is sourced from PubChem (CID 79729691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).