5-bromo-N-cyclopentyl-2-(ethylamino)pyridine-3-sulfonamide

C12H18BrN3O2S — CID 62148815

IUPAC5-bromo-N-cyclopentyl-2-(ethylamino)pyridine-3-sulfonamide
SMILESCCNc1ncc(Br)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C12H18BrN3O2S/c1-2-14-12-11(7-9(13)8-15-12)19(17,18)16-10-5-3-4-6-10/h7-8,10,16H,2-6H2,1H3,(H,14,15)
InChIKeyNTYUGHQBJJBJBE-UHFFFAOYSA-N
MW348.27 g/mol
LogP2.50
Rot. Bonds5

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

5-bromo-N-cyclopentyl-2-(ethylamino)pyridine-3-sulfonamide (PubChem CID 62148815) has the molecular formula C12H18BrN3O2S and a molecular weight of 348.27 g/mol. Its IUPAC name is 5-bromo-N-cyclopentyl-2-(ethylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-cyclopentyl-2-(ethylamino)pyridine-3-sulfonamide
PubChem CID62148815
Molecular FormulaC12H18BrN3O2S
Molecular Weight348.27 g/mol
Exact Mass347.03
IUPAC Name5-bromo-N-cyclopentyl-2-(ethylamino)pyridine-3-sulfonamide
SMILESCCNc1ncc(Br)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C12H18BrN3O2S/c1-2-14-12-11(7-9(13)8-15-12)19(17,18)16-10-5-3-4-6-10/h7-8,10,16H,2-6H2,1H3,(H,14,15)
InChIKeyNTYUGHQBJJBJBE-UHFFFAOYSA-N
XLogP2.50
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.27
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-cyclobutyl-2-hydrazinylpyridine-3-sulfonamide
CID 62414810
5-bromo-2-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 62148821
5-bromo-2-(ethylamino)-N-[(2-methylcyclopentyl)methyl]pyridine-3-sulfonamide
CID 107420521
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-5-bromo-N-ethylpyridin-2-amine
CID 115561618
5-bromo-2-hydrazinyl-N-(1-methylpiperidin-4-yl)pyridine-3-sulfonamide
CID 61299121
5-bromo-2-(ethylamino)-N-[2-(methanesulfonamido)ethyl]pyridine-3-sulfonamide
CID 62146629
5-bromo-2-hydrazinyl-N-(3-methylcyclohexyl)pyridine-3-sulfonamide
CID 61298927
5-bromo-N-(cyclobutylmethyl)-2-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 62855898
5-bromo-2-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide
CID 63962280
5-bromo-2-(ethylamino)-N-(3-sulfamoylpropyl)pyridine-3-sulfonamide
CID 62158378
5-bromo-N-[2-(diethylamino)ethyl]-2-(ethylamino)pyridine-3-sulfonamide
CID 62150579
5-bromo-2-(ethylamino)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide
CID 106217981

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclopentyl-2-(ethylamino)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-cyclopentyl-2-(ethylamino)pyridine-3-sulfonamide (CID 62148815) is 5-bromo-N-cyclopentyl-2-(ethylamino)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-cyclopentyl-2-(ethylamino)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-cyclopentyl-2-(ethylamino)pyridine-3-sulfonamide is CCNc1ncc(Br)cc1S(=O)(=O)NC1CCCC1.
What is the InChIKey of 5-bromo-N-cyclopentyl-2-(ethylamino)pyridine-3-sulfonamide?
The InChIKey is NTYUGHQBJJBJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O2S/c1-2-14-12-11(7-9(13)8-15-12)19(17,18)16-10-5-3-4-6-10/h7-8,10,16H,2-6H2,1H3,(H,14,15).
What are the key properties of 5-bromo-N-cyclopentyl-2-(ethylamino)pyridine-3-sulfonamide?
5-bromo-N-cyclopentyl-2-(ethylamino)pyridine-3-sulfonamide has a molecular weight of 348.27 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclopentyl-2-(ethylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 62148815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).