5-bromo-2-(methylamino)-N-(3-methylbutyl)pyridine-3-sulfonamide

C11H18BrN3O2S — CID 55043938

IUPAC5-bromo-2-(methylamino)-N-(3-methylbutyl)pyridine-3-sulfonamide
SMILESCNc1ncc(Br)cc1S(=O)(=O)NCCC(C)C
InChIInChI=1S/C11H18BrN3O2S/c1-8(2)4-5-15-18(16,17)10-6-9(12)7-14-11(10)13-3/h6-8,15H,4-5H2,1-3H3,(H,13,14)
InChIKeyJWTHKIZGFQIELN-UHFFFAOYSA-N
MW336.26 g/mol
LogP2.21
Rot. Bonds6

About 5-bromo-2-(methylamino)-N-(3-methylbutyl)pyridine-3-sulfonamide

5-bromo-2-(methylamino)-N-(3-methylbutyl)pyridine-3-sulfonamide (PubChem CID 55043938) has the molecular formula C11H18BrN3O2S and a molecular weight of 336.26 g/mol. Its IUPAC name is 5-bromo-2-(methylamino)-N-(3-methylbutyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-(methylamino)-N-(3-methylbutyl)pyridine-3-sulfonamide
PubChem CID55043938
Molecular FormulaC11H18BrN3O2S
Molecular Weight336.26 g/mol
Exact Mass335.03
IUPAC Name5-bromo-2-(methylamino)-N-(3-methylbutyl)pyridine-3-sulfonamide
SMILESCNc1ncc(Br)cc1S(=O)(=O)NCCC(C)C
InChIInChI=1S/C11H18BrN3O2S/c1-8(2)4-5-15-18(16,17)10-6-9(12)7-14-11(10)13-3/h6-8,15H,4-5H2,1-3H3,(H,13,14)
InChIKeyJWTHKIZGFQIELN-UHFFFAOYSA-N
XLogP2.21
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.26
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-[[5-bromo-2-(methylamino)-3-pyridinyl]sulfonylamino]acetamide
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5-bromo-2-(methylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide
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5-bromo-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]pyridine-3-sulfonamide
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5-bromo-2-(ethylamino)-N-(2-propan-2-yloxyethyl)pyridine-3-sulfonamide
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5-bromo-2-(methylamino)-N-octan-4-ylpyridine-3-sulfonamide
CID 106027676
5-bromo-2-(ethylamino)-N-[2-(methanesulfonamido)ethyl]pyridine-3-sulfonamide
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5-bromo-2-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide
CID 63295582
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(methylamino)-N-(3-methylbutyl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-(methylamino)-N-(3-methylbutyl)pyridine-3-sulfonamide (CID 55043938) is 5-bromo-2-(methylamino)-N-(3-methylbutyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-(methylamino)-N-(3-methylbutyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-(methylamino)-N-(3-methylbutyl)pyridine-3-sulfonamide is CNc1ncc(Br)cc1S(=O)(=O)NCCC(C)C.
What is the InChIKey of 5-bromo-2-(methylamino)-N-(3-methylbutyl)pyridine-3-sulfonamide?
The InChIKey is JWTHKIZGFQIELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O2S/c1-8(2)4-5-15-18(16,17)10-6-9(12)7-14-11(10)13-3/h6-8,15H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 5-bromo-2-(methylamino)-N-(3-methylbutyl)pyridine-3-sulfonamide?
5-bromo-2-(methylamino)-N-(3-methylbutyl)pyridine-3-sulfonamide has a molecular weight of 336.26 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(methylamino)-N-(3-methylbutyl)pyridine-3-sulfonamide is sourced from PubChem (CID 55043938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).