5-bromo-2-(ethylamino)-N-[(2-methylcyclopentyl)methyl]pyridine-3-sulfonamide

C14H22BrN3O2S — CID 107420521

IUPAC5-bromo-2-(ethylamino)-N-[(2-methylcyclopentyl)methyl]pyridine-3-sulfonamide
SMILESCCNc1ncc(Br)cc1S(=O)(=O)NCC1CCCC1C
InChIInChI=1S/C14H22BrN3O2S/c1-3-16-14-13(7-12(15)9-17-14)21(19,20)18-8-11-6-4-5-10(11)2/h7,9-11,18H,3-6,8H2,1-2H3,(H,16,17)
InChIKeySYXDZMHSMOIWDL-UHFFFAOYSA-N
MW376.32 g/mol
LogP2.99
Rot. Bonds6

About 5-bromo-2-(ethylamino)-N-[(2-methylcyclopentyl)methyl]pyridine-3-sulfonamide

5-bromo-2-(ethylamino)-N-[(2-methylcyclopentyl)methyl]pyridine-3-sulfonamide (PubChem CID 107420521) has the molecular formula C14H22BrN3O2S and a molecular weight of 376.32 g/mol. Its IUPAC name is 5-bromo-2-(ethylamino)-N-[(2-methylcyclopentyl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-(ethylamino)-N-[(2-methylcyclopentyl)methyl]pyridine-3-sulfonamide
PubChem CID107420521
Molecular FormulaC14H22BrN3O2S
Molecular Weight376.32 g/mol
Exact Mass375.06
IUPAC Name5-bromo-2-(ethylamino)-N-[(2-methylcyclopentyl)methyl]pyridine-3-sulfonamide
SMILESCCNc1ncc(Br)cc1S(=O)(=O)NCC1CCCC1C
InChIInChI=1S/C14H22BrN3O2S/c1-3-16-14-13(7-12(15)9-17-14)21(19,20)18-8-11-6-4-5-10(11)2/h7,9-11,18H,3-6,8H2,1-2H3,(H,16,17)
InChIKeySYXDZMHSMOIWDL-UHFFFAOYSA-N
XLogP2.99
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.32
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]pyridine-3-sulfonamide
CID 113464137
5-bromo-N-cyclopentyl-2-(ethylamino)pyridine-3-sulfonamide
CID 62148815
5-bromo-2-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 62148821
5-bromo-2-(ethylamino)-N-[2-(methanesulfonamido)ethyl]pyridine-3-sulfonamide
CID 62146629
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-5-bromo-N-ethylpyridin-2-amine
CID 115561618
2-(ethylamino)-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide
CID 107420501
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
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-hydrazinylpyridine-3-sulfonamide
CID 63683555
5-bromo-2-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]pyridine-3-sulfonamide
CID 62641481
5-bromo-N-(cyclobutylmethyl)-2-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 62855898

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(ethylamino)-N-[(2-methylcyclopentyl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-(ethylamino)-N-[(2-methylcyclopentyl)methyl]pyridine-3-sulfonamide (CID 107420521) is 5-bromo-2-(ethylamino)-N-[(2-methylcyclopentyl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-(ethylamino)-N-[(2-methylcyclopentyl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-(ethylamino)-N-[(2-methylcyclopentyl)methyl]pyridine-3-sulfonamide is CCNc1ncc(Br)cc1S(=O)(=O)NCC1CCCC1C.
What is the InChIKey of 5-bromo-2-(ethylamino)-N-[(2-methylcyclopentyl)methyl]pyridine-3-sulfonamide?
The InChIKey is SYXDZMHSMOIWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O2S/c1-3-16-14-13(7-12(15)9-17-14)21(19,20)18-8-11-6-4-5-10(11)2/h7,9-11,18H,3-6,8H2,1-2H3,(H,16,17).
What are the key properties of 5-bromo-2-(ethylamino)-N-[(2-methylcyclopentyl)methyl]pyridine-3-sulfonamide?
5-bromo-2-(ethylamino)-N-[(2-methylcyclopentyl)methyl]pyridine-3-sulfonamide has a molecular weight of 376.32 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(ethylamino)-N-[(2-methylcyclopentyl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 107420521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).