5-bromo-N-methyl-N-propylpyridine-3-sulfonamide

C9H13BrN2O2S — CID 55207622

IUPAC5-bromo-N-methyl-N-propylpyridine-3-sulfonamide
SMILESCCCN(C)S(=O)(=O)c1cncc(Br)c1
InChIInChI=1S/C9H13BrN2O2S/c1-3-4-12(2)15(13,14)9-5-8(10)6-11-7-9/h5-7H,3-4H2,1-2H3
InChIKeyMZNYIGUXFLAFAW-UHFFFAOYSA-N
MW293.19 g/mol
LogP1.87
Rot. Bonds4

About 5-bromo-N-methyl-N-propylpyridine-3-sulfonamide

5-bromo-N-methyl-N-propylpyridine-3-sulfonamide (PubChem CID 55207622) has the molecular formula C9H13BrN2O2S and a molecular weight of 293.19 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-propylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-methyl-N-propylpyridine-3-sulfonamide
PubChem CID55207622
Molecular FormulaC9H13BrN2O2S
Molecular Weight293.19 g/mol
Exact Mass291.99
IUPAC Name5-bromo-N-methyl-N-propylpyridine-3-sulfonamide
SMILESCCCN(C)S(=O)(=O)c1cncc(Br)c1
InChIInChI=1S/C9H13BrN2O2S/c1-3-4-12(2)15(13,14)9-5-8(10)6-11-7-9/h5-7H,3-4H2,1-2H3
InChIKeyMZNYIGUXFLAFAW-UHFFFAOYSA-N
XLogP1.87
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.19
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(2-ethoxyethyl)-N-methylpyridine-3-sulfonamide
CID 81062093
5-bromo-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide
CID 63209240
3-bromo-N-methyl-N-propylbenzenesulfonamide
CID 60823312
5-bromo-N-(piperidin-4-ylmethyl)-N-propylpyridine-3-sulfonamide
CID 79703113
5-bromo-N-piperidin-4-yl-N-propylpyridine-3-sulfonamide;hydrochloride
CID 119994034
5-amino-N-butyl-N-methylpyridine-3-sulfonamide
CID 82222996
N-(2-bromoethyl)-5-fluoro-N-methylpyridine-3-sulfonamide
CID 80669199
N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-ethylpyridine-3-sulfonamide
CID 79667609
2-[(5-bromo-3-pyridinyl)sulfonyl-ethylamino]-2-methylpropanoic acid
CID 62818897
2-[(2-amino-2-oxoethyl)-[(5-bromo-3-pyridinyl)sulfonyl]amino]acetamide
CID 62921775
5-bromo-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-3-sulfonamide;hydrochloride
CID 119967553
5-bromopyridine-3-sulfonyl chloride;ethane
CID 143729896

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-propylpyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-methyl-N-propylpyridine-3-sulfonamide (CID 55207622) is 5-bromo-N-methyl-N-propylpyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-methyl-N-propylpyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-methyl-N-propylpyridine-3-sulfonamide is CCCN(C)S(=O)(=O)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-methyl-N-propylpyridine-3-sulfonamide?
The InChIKey is MZNYIGUXFLAFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O2S/c1-3-4-12(2)15(13,14)9-5-8(10)6-11-7-9/h5-7H,3-4H2,1-2H3.
What are the key properties of 5-bromo-N-methyl-N-propylpyridine-3-sulfonamide?
5-bromo-N-methyl-N-propylpyridine-3-sulfonamide has a molecular weight of 293.19 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-propylpyridine-3-sulfonamide is sourced from PubChem (CID 55207622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).