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

C12H13Br2N3O2S2 — CID 106076838

IUPAC2-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)Nc2ncc(Br)cc2C)c(Br)s1
InChIInChI=1S/C12H13Br2N3O2S2/c1-7-3-8(13)5-16-12(7)17-21(18,19)10-4-9(6-15-2)20-11(10)14/h3-5,15H,6H2,1-2H3,(H,16,17)
InChIKeyCIRWBMOCRSJLKQ-UHFFFAOYSA-N
MW455.20 g/mol
LogP3.50
Rot. Bonds5

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

2-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide (PubChem CID 106076838) has the molecular formula C12H13Br2N3O2S2 and a molecular weight of 455.20 g/mol. Its IUPAC name is 2-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
PubChem CID106076838
Molecular FormulaC12H13Br2N3O2S2
Molecular Weight455.20 g/mol
Exact Mass452.88
IUPAC Name2-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)Nc2ncc(Br)cc2C)c(Br)s1
InChIInChI=1S/C12H13Br2N3O2S2/c1-7-3-8(13)5-16-12(7)17-21(18,19)10-4-9(6-15-2)20-11(10)14/h3-5,15H,6H2,1-2H3,(H,16,17)
InChIKeyCIRWBMOCRSJLKQ-UHFFFAOYSA-N
XLogP3.50
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.20
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-2-bromo-N-(5-bromo-3-methyl-2-pyridinyl)thiophene-3-sulfonamide
CID 106076839
N-(5-bromo-3-methyl-2-pyridinyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106076794
2-bromo-5-(methylaminomethyl)-N-(1H-pyrazol-4-yl)thiophene-3-sulfonamide
CID 114134489
2-bromo-N-(4-fluoro-3-methylphenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106056173
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
2,5-dibromo-N-(5-bromo-3-methyl-2-pyridinyl)benzenesulfonamide
CID 83170783
2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 106337679
5-amino-N-(5-bromo-3-methyl-2-pyridinyl)-2,3-dimethylbenzenesulfonamide
CID 83165910
5-amino-N-(5-bromo-3-methyl-2-pyridinyl)-1H-pyrazole-4-sulfonamide
CID 83167706
4-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-chlorobenzenesulfonamide
CID 81421854
2-bromo-N-(4-bromo-3-chlorophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106090264

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide?
The IUPAC name of 2-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide (CID 106076838) is 2-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide is CNCc1cc(S(=O)(=O)Nc2ncc(Br)cc2C)c(Br)s1.
What is the InChIKey of 2-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide?
The InChIKey is CIRWBMOCRSJLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br2N3O2S2/c1-7-3-8(13)5-16-12(7)17-21(18,19)10-4-9(6-15-2)20-11(10)14/h3-5,15H,6H2,1-2H3,(H,16,17).
What are the key properties of 2-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide?
2-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide has a molecular weight of 455.20 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106076838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).