5-bromo-N-cyclopropyl-2-(ethylamino)-N-(2-methylpropyl)pyridine-3-sulfonamide

C14H22BrN3O2S — CID 62157132

IUPAC5-bromo-N-cyclopropyl-2-(ethylamino)-N-(2-methylpropyl)pyridine-3-sulfonamide
SMILESCCNc1ncc(Br)cc1S(=O)(=O)N(CC(C)C)C1CC1
InChIInChI=1S/C14H22BrN3O2S/c1-4-16-14-13(7-11(15)8-17-14)21(19,20)18(9-10(2)3)12-5-6-12/h7-8,10,12H,4-6,9H2,1-3H3,(H,16,17)
InChIKeyCVVASQINEUKXOF-UHFFFAOYSA-N
MW376.32 g/mol
LogP3.09
Rot. Bonds7

About 5-bromo-N-cyclopropyl-2-(ethylamino)-N-(2-methylpropyl)pyridine-3-sulfonamide

5-bromo-N-cyclopropyl-2-(ethylamino)-N-(2-methylpropyl)pyridine-3-sulfonamide (PubChem CID 62157132) has the molecular formula C14H22BrN3O2S and a molecular weight of 376.32 g/mol. Its IUPAC name is 5-bromo-N-cyclopropyl-2-(ethylamino)-N-(2-methylpropyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-cyclopropyl-2-(ethylamino)-N-(2-methylpropyl)pyridine-3-sulfonamide
PubChem CID62157132
Molecular FormulaC14H22BrN3O2S
Molecular Weight376.32 g/mol
Exact Mass375.06
IUPAC Name5-bromo-N-cyclopropyl-2-(ethylamino)-N-(2-methylpropyl)pyridine-3-sulfonamide
SMILESCCNc1ncc(Br)cc1S(=O)(=O)N(CC(C)C)C1CC1
InChIInChI=1S/C14H22BrN3O2S/c1-4-16-14-13(7-11(15)8-17-14)21(19,20)18(9-10(2)3)12-5-6-12/h7-8,10,12H,4-6,9H2,1-3H3,(H,16,17)
InChIKeyCVVASQINEUKXOF-UHFFFAOYSA-N
XLogP3.09
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclopropyl-2-(ethylamino)-N-(2-methylpropyl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-cyclopropyl-2-(ethylamino)-N-(2-methylpropyl)pyridine-3-sulfonamide (CID 62157132) is 5-bromo-N-cyclopropyl-2-(ethylamino)-N-(2-methylpropyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-cyclopropyl-2-(ethylamino)-N-(2-methylpropyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-cyclopropyl-2-(ethylamino)-N-(2-methylpropyl)pyridine-3-sulfonamide is CCNc1ncc(Br)cc1S(=O)(=O)N(CC(C)C)C1CC1.
What is the InChIKey of 5-bromo-N-cyclopropyl-2-(ethylamino)-N-(2-methylpropyl)pyridine-3-sulfonamide?
The InChIKey is CVVASQINEUKXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O2S/c1-4-16-14-13(7-11(15)8-17-14)21(19,20)18(9-10(2)3)12-5-6-12/h7-8,10,12H,4-6,9H2,1-3H3,(H,16,17).
What are the key properties of 5-bromo-N-cyclopropyl-2-(ethylamino)-N-(2-methylpropyl)pyridine-3-sulfonamide?
5-bromo-N-cyclopropyl-2-(ethylamino)-N-(2-methylpropyl)pyridine-3-sulfonamide has a molecular weight of 376.32 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclopropyl-2-(ethylamino)-N-(2-methylpropyl)pyridine-3-sulfonamide is sourced from PubChem (CID 62157132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).