5-bromo-2-(ethylamino)-N-(1-methoxypropan-2-yl)-N-methylpyridine-3-sulfonamide

C12H20BrN3O3S — CID 62158890

IUPAC5-bromo-2-(ethylamino)-N-(1-methoxypropan-2-yl)-N-methylpyridine-3-sulfonamide
SMILESCCNc1ncc(Br)cc1S(=O)(=O)N(C)C(C)COC
InChIInChI=1S/C12H20BrN3O3S/c1-5-14-12-11(6-10(13)7-15-12)20(17,18)16(3)9(2)8-19-4/h6-7,9H,5,8H2,1-4H3,(H,14,15)
InChIKeyXHQHKXJVQLEKTI-UHFFFAOYSA-N
MW366.28 g/mol
LogP1.93
Rot. Bonds7

About 5-bromo-2-(ethylamino)-N-(1-methoxypropan-2-yl)-N-methylpyridine-3-sulfonamide

5-bromo-2-(ethylamino)-N-(1-methoxypropan-2-yl)-N-methylpyridine-3-sulfonamide (PubChem CID 62158890) has the molecular formula C12H20BrN3O3S and a molecular weight of 366.28 g/mol. Its IUPAC name is 5-bromo-2-(ethylamino)-N-(1-methoxypropan-2-yl)-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-(ethylamino)-N-(1-methoxypropan-2-yl)-N-methylpyridine-3-sulfonamide
PubChem CID62158890
Molecular FormulaC12H20BrN3O3S
Molecular Weight366.28 g/mol
Exact Mass365.04
IUPAC Name5-bromo-2-(ethylamino)-N-(1-methoxypropan-2-yl)-N-methylpyridine-3-sulfonamide
SMILESCCNc1ncc(Br)cc1S(=O)(=O)N(C)C(C)COC
InChIInChI=1S/C12H20BrN3O3S/c1-5-14-12-11(6-10(13)7-15-12)20(17,18)16(3)9(2)8-19-4/h6-7,9H,5,8H2,1-4H3,(H,14,15)
InChIKeyXHQHKXJVQLEKTI-UHFFFAOYSA-N
XLogP1.93
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-(1-methoxypropan-2-yl)-N-methyl-2-(propylamino)pyridine-3-sulfonamide
CID 62158891
5-bromo-N-ethyl-2-(ethylamino)-N-(2-methoxyethyl)pyridine-3-sulfonamide
CID 62157414
5-bromo-2-(ethylamino)-N-(2-hydroxyethyl)-N-methylpyridine-3-sulfonamide
CID 62145502
5-bromo-N-(2-ethoxyethyl)-N-ethyl-2-(ethylamino)pyridine-3-sulfonamide
CID 63690095
5-bromo-2-(ethylamino)-N-(2-propan-2-yloxyethyl)pyridine-3-sulfonamide
CID 104765396
5-bromo-N-cyclopropyl-2-(ethylamino)-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 62157132
5-bromo-N-(2-cyanoethyl)-2-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 55044408
5-bromo-2-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 62148821
5-bromo-2-(ethylamino)-N-(2-hydroxyethyl)-N-propylpyridine-3-sulfonamide
CID 62157146
5-bromo-N-(cyclobutylmethyl)-2-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 62855898
5-bromo-N-butyl-2-(ethylamino)-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 62159278
5-bromo-N-(2-hydroxypropyl)-N-methyl-2-(propylamino)pyridine-3-sulfonamide
CID 62336097

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(ethylamino)-N-(1-methoxypropan-2-yl)-N-methylpyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-(ethylamino)-N-(1-methoxypropan-2-yl)-N-methylpyridine-3-sulfonamide (CID 62158890) is 5-bromo-2-(ethylamino)-N-(1-methoxypropan-2-yl)-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-(ethylamino)-N-(1-methoxypropan-2-yl)-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-(ethylamino)-N-(1-methoxypropan-2-yl)-N-methylpyridine-3-sulfonamide is CCNc1ncc(Br)cc1S(=O)(=O)N(C)C(C)COC.
What is the InChIKey of 5-bromo-2-(ethylamino)-N-(1-methoxypropan-2-yl)-N-methylpyridine-3-sulfonamide?
The InChIKey is XHQHKXJVQLEKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3O3S/c1-5-14-12-11(6-10(13)7-15-12)20(17,18)16(3)9(2)8-19-4/h6-7,9H,5,8H2,1-4H3,(H,14,15).
What are the key properties of 5-bromo-2-(ethylamino)-N-(1-methoxypropan-2-yl)-N-methylpyridine-3-sulfonamide?
5-bromo-2-(ethylamino)-N-(1-methoxypropan-2-yl)-N-methylpyridine-3-sulfonamide has a molecular weight of 366.28 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(ethylamino)-N-(1-methoxypropan-2-yl)-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 62158890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).