2-[[5-bromo-2-(methylamino)-3-pyridinyl]sulfonylamino]acetamide

C8H11BrN4O3S — CID 62149019

IUPAC2-[[5-bromo-2-(methylamino)-3-pyridinyl]sulfonylamino]acetamide
SMILESCNc1ncc(Br)cc1S(=O)(=O)NCC(N)=O
InChIInChI=1S/C8H11BrN4O3S/c1-11-8-6(2-5(9)3-12-8)17(15,16)13-4-7(10)14/h2-3,13H,4H2,1H3,(H2,10,14)(H,11,12)
InChIKeyXBOIRKFUEZXRMX-UHFFFAOYSA-N
MW323.17 g/mol
LogP-0.35
Rot. Bonds5

About 2-[[5-bromo-2-(methylamino)-3-pyridinyl]sulfonylamino]acetamide

2-[[5-bromo-2-(methylamino)-3-pyridinyl]sulfonylamino]acetamide (PubChem CID 62149019) has the molecular formula C8H11BrN4O3S and a molecular weight of 323.17 g/mol. Its IUPAC name is 2-[[5-bromo-2-(methylamino)-3-pyridinyl]sulfonylamino]acetamide.

Molecular Properties

Compound Name2-[[5-bromo-2-(methylamino)-3-pyridinyl]sulfonylamino]acetamide
PubChem CID62149019
Molecular FormulaC8H11BrN4O3S
Molecular Weight323.17 g/mol
Exact Mass321.97
IUPAC Name2-[[5-bromo-2-(methylamino)-3-pyridinyl]sulfonylamino]acetamide
SMILESCNc1ncc(Br)cc1S(=O)(=O)NCC(N)=O
InChIInChI=1S/C8H11BrN4O3S/c1-11-8-6(2-5(9)3-12-8)17(15,16)13-4-7(10)14/h2-3,13H,4H2,1H3,(H2,10,14)(H,11,12)
InChIKeyXBOIRKFUEZXRMX-UHFFFAOYSA-N
XLogP-0.35
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.17
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-(methylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-3-sulfonamide
CID 79558831
5-bromo-2-(methylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide
CID 102907912
5-bromo-2-(methylamino)-N-(3-methylbutyl)pyridine-3-sulfonamide
CID 55043938
2-[[5-bromo-2-(methylamino)-3-pyridinyl]sulfonylamino]-3-methylbutanamide
CID 106347101
5-bromo-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]pyridine-3-sulfonamide
CID 113464137
5-bromo-N-(2-cyclohexylethyl)-2-(methylamino)pyridine-3-sulfonamide
CID 63473639
5-bromo-2-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide
CID 63295582
2-[(5-bromo-3-methyl-2-pyridinyl)amino]acetamide
CID 79717961
methyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]acetate
CID 61060282
5-bromo-N-(2-hydroxyethyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide
CID 62145501
5-bromo-2-(methylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-sulfonamide
CID 106407956
5-bromo-2-(methylamino)-N-[(6-methyl-2-pyridinyl)methyl]pyridine-3-sulfonamide
CID 62308940

Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-2-(methylamino)-3-pyridinyl]sulfonylamino]acetamide?
The IUPAC name of 2-[[5-bromo-2-(methylamino)-3-pyridinyl]sulfonylamino]acetamide (CID 62149019) is 2-[[5-bromo-2-(methylamino)-3-pyridinyl]sulfonylamino]acetamide.
What is the SMILES notation for 2-[[5-bromo-2-(methylamino)-3-pyridinyl]sulfonylamino]acetamide?
The canonical SMILES for 2-[[5-bromo-2-(methylamino)-3-pyridinyl]sulfonylamino]acetamide is CNc1ncc(Br)cc1S(=O)(=O)NCC(N)=O.
What is the InChIKey of 2-[[5-bromo-2-(methylamino)-3-pyridinyl]sulfonylamino]acetamide?
The InChIKey is XBOIRKFUEZXRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN4O3S/c1-11-8-6(2-5(9)3-12-8)17(15,16)13-4-7(10)14/h2-3,13H,4H2,1H3,(H2,10,14)(H,11,12).
What are the key properties of 2-[[5-bromo-2-(methylamino)-3-pyridinyl]sulfonylamino]acetamide?
2-[[5-bromo-2-(methylamino)-3-pyridinyl]sulfonylamino]acetamide has a molecular weight of 323.17 g/mol, XLogP of -0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-bromo-2-(methylamino)-3-pyridinyl]sulfonylamino]acetamide is sourced from PubChem (CID 62149019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).