5-(aminomethyl)-N-(5-bromo-3-methyl-2-pyridinyl)-1-methylpyrrole-3-sulfonamide

C12H15BrN4O2S — CID 106076757

IUPAC5-(aminomethyl)-N-(5-bromo-3-methyl-2-pyridinyl)-1-methylpyrrole-3-sulfonamide
SMILESCc1cc(Br)cnc1NS(=O)(=O)c1cc(CN)n(C)c1
InChIInChI=1S/C12H15BrN4O2S/c1-8-3-9(13)6-15-12(8)16-20(18,19)11-4-10(5-14)17(2)7-11/h3-4,6-7H,5,14H2,1-2H3,(H,15,16)
InChIKeyLIUGFAYLLFJJDX-UHFFFAOYSA-N
MW359.25 g/mol
LogP1.75
Rot. Bonds4

About 5-(aminomethyl)-N-(5-bromo-3-methyl-2-pyridinyl)-1-methylpyrrole-3-sulfonamide

5-(aminomethyl)-N-(5-bromo-3-methyl-2-pyridinyl)-1-methylpyrrole-3-sulfonamide (PubChem CID 106076757) has the molecular formula C12H15BrN4O2S and a molecular weight of 359.25 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(5-bromo-3-methyl-2-pyridinyl)-1-methylpyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(5-bromo-3-methyl-2-pyridinyl)-1-methylpyrrole-3-sulfonamide
PubChem CID106076757
Molecular FormulaC12H15BrN4O2S
Molecular Weight359.25 g/mol
Exact Mass358.01
IUPAC Name5-(aminomethyl)-N-(5-bromo-3-methyl-2-pyridinyl)-1-methylpyrrole-3-sulfonamide
SMILESCc1cc(Br)cnc1NS(=O)(=O)c1cc(CN)n(C)c1
InChIInChI=1S/C12H15BrN4O2S/c1-8-3-9(13)6-15-12(8)16-20(18,19)11-4-10(5-14)17(2)7-11/h3-4,6-7H,5,14H2,1-2H3,(H,15,16)
InChIKeyLIUGFAYLLFJJDX-UHFFFAOYSA-N
XLogP1.75
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.25
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-1-methylpyrrole-3-sulfonamide
CID 106070785
N-(5-bromo-3-methyl-2-pyridinyl)-1-methylpyrazole-4-sulfonamide
CID 81422727
5-(aminomethyl)-1-methyl-N-(2,4,6-tribromophenyl)pyrrole-3-sulfonamide
CID 106002438
2-amino-N-(5-bromo-3-methyl-2-pyridinyl)pyrimidine-5-sulfonamide
CID 83170644
N-(5-bromo-3-methyl-2-pyridinyl)-1,2-dimethylimidazole-4-sulfonamide
CID 81422954
N-(5-bromo-3-methyl-2-pyridinyl)-4-methylbenzenesulfonamide
CID 3707441
4-amino-3-bromo-N-(5-bromo-3-methyl-2-pyridinyl)benzenesulfonamide
CID 83167153
3-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-methylbenzenesulfonamide
CID 83166969
5-(aminomethyl)-N-(5-bromo-3-methyl-2-pyridinyl)-4-methylthiophene-2-sulfonamide
CID 106076817
5-(aminomethyl)-N-(4-bromo-2-ethylphenyl)-1-methylpyrrole-3-sulfonamide
CID 106073387
5-(aminomethyl)-1-methyl-N-(2-methyl-3-pyridinyl)pyrrole-3-sulfonamide
CID 106070192
5-(aminomethyl)-2-bromo-N-(5-bromo-3-methyl-2-pyridinyl)thiophene-3-sulfonamide
CID 106076839

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(5-bromo-3-methyl-2-pyridinyl)-1-methylpyrrole-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(5-bromo-3-methyl-2-pyridinyl)-1-methylpyrrole-3-sulfonamide (CID 106076757) is 5-(aminomethyl)-N-(5-bromo-3-methyl-2-pyridinyl)-1-methylpyrrole-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(5-bromo-3-methyl-2-pyridinyl)-1-methylpyrrole-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(5-bromo-3-methyl-2-pyridinyl)-1-methylpyrrole-3-sulfonamide is Cc1cc(Br)cnc1NS(=O)(=O)c1cc(CN)n(C)c1.
What is the InChIKey of 5-(aminomethyl)-N-(5-bromo-3-methyl-2-pyridinyl)-1-methylpyrrole-3-sulfonamide?
The InChIKey is LIUGFAYLLFJJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O2S/c1-8-3-9(13)6-15-12(8)16-20(18,19)11-4-10(5-14)17(2)7-11/h3-4,6-7H,5,14H2,1-2H3,(H,15,16).
What are the key properties of 5-(aminomethyl)-N-(5-bromo-3-methyl-2-pyridinyl)-1-methylpyrrole-3-sulfonamide?
5-(aminomethyl)-N-(5-bromo-3-methyl-2-pyridinyl)-1-methylpyrrole-3-sulfonamide has a molecular weight of 359.25 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(5-bromo-3-methyl-2-pyridinyl)-1-methylpyrrole-3-sulfonamide is sourced from PubChem (CID 106076757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).