5-bromo-N-(2-hydroxypropyl)-N-methyl-2-(propylamino)pyridine-3-sulfonamide

C12H20BrN3O3S — CID 62336097

IUPAC5-bromo-N-(2-hydroxypropyl)-N-methyl-2-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ncc(Br)cc1S(=O)(=O)N(C)CC(C)O
InChIInChI=1S/C12H20BrN3O3S/c1-4-5-14-12-11(6-10(13)7-15-12)20(18,19)16(3)8-9(2)17/h6-7,9,17H,4-5,8H2,1-3H3,(H,14,15)
InChIKeyBLKWMUNTZUSYJD-UHFFFAOYSA-N
MW366.28 g/mol
LogP1.67
Rot. Bonds7

About 5-bromo-N-(2-hydroxypropyl)-N-methyl-2-(propylamino)pyridine-3-sulfonamide

5-bromo-N-(2-hydroxypropyl)-N-methyl-2-(propylamino)pyridine-3-sulfonamide (PubChem CID 62336097) has the molecular formula C12H20BrN3O3S and a molecular weight of 366.28 g/mol. Its IUPAC name is 5-bromo-N-(2-hydroxypropyl)-N-methyl-2-(propylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-hydroxypropyl)-N-methyl-2-(propylamino)pyridine-3-sulfonamide
PubChem CID62336097
Molecular FormulaC12H20BrN3O3S
Molecular Weight366.28 g/mol
Exact Mass365.04
IUPAC Name5-bromo-N-(2-hydroxypropyl)-N-methyl-2-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ncc(Br)cc1S(=O)(=O)N(C)CC(C)O
InChIInChI=1S/C12H20BrN3O3S/c1-4-5-14-12-11(6-10(13)7-15-12)20(18,19)16(3)8-9(2)17/h6-7,9,17H,4-5,8H2,1-3H3,(H,14,15)
InChIKeyBLKWMUNTZUSYJD-UHFFFAOYSA-N
XLogP1.67
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.28
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-hydroxypropyl)-N-methyl-2-(propylamino)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-(2-hydroxypropyl)-N-methyl-2-(propylamino)pyridine-3-sulfonamide (CID 62336097) is 5-bromo-N-(2-hydroxypropyl)-N-methyl-2-(propylamino)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2-hydroxypropyl)-N-methyl-2-(propylamino)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(2-hydroxypropyl)-N-methyl-2-(propylamino)pyridine-3-sulfonamide is CCCNc1ncc(Br)cc1S(=O)(=O)N(C)CC(C)O.
What is the InChIKey of 5-bromo-N-(2-hydroxypropyl)-N-methyl-2-(propylamino)pyridine-3-sulfonamide?
The InChIKey is BLKWMUNTZUSYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3O3S/c1-4-5-14-12-11(6-10(13)7-15-12)20(18,19)16(3)8-9(2)17/h6-7,9,17H,4-5,8H2,1-3H3,(H,14,15).
What are the key properties of 5-bromo-N-(2-hydroxypropyl)-N-methyl-2-(propylamino)pyridine-3-sulfonamide?
5-bromo-N-(2-hydroxypropyl)-N-methyl-2-(propylamino)pyridine-3-sulfonamide has a molecular weight of 366.28 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-hydroxypropyl)-N-methyl-2-(propylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 62336097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).