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

C11H17BrN4O3S — CID 106347101

IUPAC2-[[5-bromo-2-(methylamino)-3-pyridinyl]sulfonylamino]-3-methylbutanamide
SMILESCNc1ncc(Br)cc1S(=O)(=O)NC(C(N)=O)C(C)C
InChIInChI=1S/C11H17BrN4O3S/c1-6(2)9(10(13)17)16-20(18,19)8-4-7(12)5-15-11(8)14-3/h4-6,9,16H,1-3H3,(H2,13,17)(H,14,15)
InChIKeyIYYOWZQFAOUVNE-UHFFFAOYSA-N
MW365.25 g/mol
LogP0.67
Rot. Bonds6

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

2-[[5-bromo-2-(methylamino)-3-pyridinyl]sulfonylamino]-3-methylbutanamide (PubChem CID 106347101) has the molecular formula C11H17BrN4O3S and a molecular weight of 365.25 g/mol. Its IUPAC name is 2-[[5-bromo-2-(methylamino)-3-pyridinyl]sulfonylamino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[[5-bromo-2-(methylamino)-3-pyridinyl]sulfonylamino]-3-methylbutanamide
PubChem CID106347101
Molecular FormulaC11H17BrN4O3S
Molecular Weight365.25 g/mol
Exact Mass364.02
IUPAC Name2-[[5-bromo-2-(methylamino)-3-pyridinyl]sulfonylamino]-3-methylbutanamide
SMILESCNc1ncc(Br)cc1S(=O)(=O)NC(C(N)=O)C(C)C
InChIInChI=1S/C11H17BrN4O3S/c1-6(2)9(10(13)17)16-20(18,19)8-4-7(12)5-15-11(8)14-3/h4-6,9,16H,1-3H3,(H2,13,17)(H,14,15)
InChIKeyIYYOWZQFAOUVNE-UHFFFAOYSA-N
XLogP0.67
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-bromo-2-(methylamino)-3-pyridinyl]sulfonylamino]acetamide
CID 62149019
5-bromo-2-(methylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide
CID 102907912
5-bromo-2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide
CID 106283477
5-bromo-2-(methylamino)-N-(3-methylbutyl)pyridine-3-sulfonamide
CID 55043938
2-[(5-bromo-2-cyanophenyl)sulfonylamino]-3-methylbutanamide
CID 119040585
5-bromo-2-(methylamino)-N-octan-4-ylpyridine-3-sulfonamide
CID 106027676
2-[(5-bromo-3-fluoro-2-pyridinyl)amino]-3-methylbutanamide
CID 106345901
2-[[5-bromo-2-(ethylamino)-3-pyridinyl]sulfonylamino]-N-methylpropanamide
CID 62159404
2-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonylamino]-3-methylbutanamide
CID 106347072
5-bromo-2-(methylamino)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-sulfonamide
CID 79356421
2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-3-methylbutanamide
CID 106343844
2-amino-5-bromo-N-(3,3-dimethylbutan-2-yl)pyridine-3-sulfonamide
CID 115748656

Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-2-(methylamino)-3-pyridinyl]sulfonylamino]-3-methylbutanamide?
The IUPAC name of 2-[[5-bromo-2-(methylamino)-3-pyridinyl]sulfonylamino]-3-methylbutanamide (CID 106347101) is 2-[[5-bromo-2-(methylamino)-3-pyridinyl]sulfonylamino]-3-methylbutanamide.
What is the SMILES notation for 2-[[5-bromo-2-(methylamino)-3-pyridinyl]sulfonylamino]-3-methylbutanamide?
The canonical SMILES for 2-[[5-bromo-2-(methylamino)-3-pyridinyl]sulfonylamino]-3-methylbutanamide is CNc1ncc(Br)cc1S(=O)(=O)NC(C(N)=O)C(C)C.
What is the InChIKey of 2-[[5-bromo-2-(methylamino)-3-pyridinyl]sulfonylamino]-3-methylbutanamide?
The InChIKey is IYYOWZQFAOUVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O3S/c1-6(2)9(10(13)17)16-20(18,19)8-4-7(12)5-15-11(8)14-3/h4-6,9,16H,1-3H3,(H2,13,17)(H,14,15).
What are the key properties of 2-[[5-bromo-2-(methylamino)-3-pyridinyl]sulfonylamino]-3-methylbutanamide?
2-[[5-bromo-2-(methylamino)-3-pyridinyl]sulfonylamino]-3-methylbutanamide has a molecular weight of 365.25 g/mol, XLogP of 0.67, 6 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]-3-methylbutanamide is sourced from PubChem (CID 106347101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).