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

C11H11Br2N3O2S2 — CID 106076839

IUPAC5-(aminomethyl)-2-bromo-N-(5-bromo-3-methyl-2-pyridinyl)thiophene-3-sulfonamide
SMILESCc1cc(Br)cnc1NS(=O)(=O)c1cc(CN)sc1Br
InChIInChI=1S/C11H11Br2N3O2S2/c1-6-2-7(12)5-15-11(6)16-20(17,18)9-3-8(4-14)19-10(9)13/h2-3,5H,4,14H2,1H3,(H,15,16)
InChIKeyDDRGDXWJCKUANV-UHFFFAOYSA-N
MW441.17 g/mol
LogP3.24
Rot. Bonds4

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

5-(aminomethyl)-2-bromo-N-(5-bromo-3-methyl-2-pyridinyl)thiophene-3-sulfonamide (PubChem CID 106076839) has the molecular formula C11H11Br2N3O2S2 and a molecular weight of 441.17 g/mol. Its IUPAC name is 5-(aminomethyl)-2-bromo-N-(5-bromo-3-methyl-2-pyridinyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-bromo-N-(5-bromo-3-methyl-2-pyridinyl)thiophene-3-sulfonamide
PubChem CID106076839
Molecular FormulaC11H11Br2N3O2S2
Molecular Weight441.17 g/mol
Exact Mass438.87
IUPAC Name5-(aminomethyl)-2-bromo-N-(5-bromo-3-methyl-2-pyridinyl)thiophene-3-sulfonamide
SMILESCc1cc(Br)cnc1NS(=O)(=O)c1cc(CN)sc1Br
InChIInChI=1S/C11H11Br2N3O2S2/c1-6-2-7(12)5-15-11(6)16-20(17,18)9-3-8(4-14)19-10(9)13/h2-3,5H,4,14H2,1H3,(H,15,16)
InChIKeyDDRGDXWJCKUANV-UHFFFAOYSA-N
XLogP3.24
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.17
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106076838
5-(aminomethyl)-N-(5-bromo-3-methyl-2-pyridinyl)-4-methylthiophene-2-sulfonamide
CID 106076817
2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4,5-dimethylbenzenesulfonamide
CID 83166245
5-(aminomethyl)-2-bromo-N-(2,6-dibromo-4-methylphenyl)thiophene-3-sulfonamide
CID 106002359
5-amino-N-(5-bromo-3-methyl-2-pyridinyl)-2,3-dimethylbenzenesulfonamide
CID 83165910
5-(aminomethyl)-2-bromo-N-(2,4-dimethylphenyl)thiophene-3-sulfonamide
CID 106060392
5-amino-N-(5-bromo-3-methyl-2-pyridinyl)-1H-pyrazole-4-sulfonamide
CID 83167706
2,5-dibromo-N-(5-bromo-3-methyl-2-pyridinyl)benzenesulfonamide
CID 83170783
5-(aminomethyl)-2-bromo-N-(6-methyl-2-pyridinyl)thiophene-3-sulfonamide
CID 106086989
5-amino-N-(5-bromo-3-methyl-2-pyridinyl)-2,4-difluorobenzenesulfonamide
CID 83166077
N-(5-bromo-3-methyl-2-pyridinyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106076794
5-(aminomethyl)-N-(5-bromo-3-methyl-2-pyridinyl)-1-methylpyrrole-3-sulfonamide
CID 106076757

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-bromo-N-(5-bromo-3-methyl-2-pyridinyl)thiophene-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-2-bromo-N-(5-bromo-3-methyl-2-pyridinyl)thiophene-3-sulfonamide (CID 106076839) is 5-(aminomethyl)-2-bromo-N-(5-bromo-3-methyl-2-pyridinyl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-bromo-N-(5-bromo-3-methyl-2-pyridinyl)thiophene-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-bromo-N-(5-bromo-3-methyl-2-pyridinyl)thiophene-3-sulfonamide is Cc1cc(Br)cnc1NS(=O)(=O)c1cc(CN)sc1Br.
What is the InChIKey of 5-(aminomethyl)-2-bromo-N-(5-bromo-3-methyl-2-pyridinyl)thiophene-3-sulfonamide?
The InChIKey is DDRGDXWJCKUANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2N3O2S2/c1-6-2-7(12)5-15-11(6)16-20(17,18)9-3-8(4-14)19-10(9)13/h2-3,5H,4,14H2,1H3,(H,15,16).
What are the key properties of 5-(aminomethyl)-2-bromo-N-(5-bromo-3-methyl-2-pyridinyl)thiophene-3-sulfonamide?
5-(aminomethyl)-2-bromo-N-(5-bromo-3-methyl-2-pyridinyl)thiophene-3-sulfonamide has a molecular weight of 441.17 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-bromo-N-(5-bromo-3-methyl-2-pyridinyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106076839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).