5-bromo-N-[2-(diethylamino)ethyl]-2-(ethylamino)pyridine-3-sulfonamide

C13H23BrN4O2S — CID 62150579

IUPAC5-bromo-N-[2-(diethylamino)ethyl]-2-(ethylamino)pyridine-3-sulfonamide
SMILESCCNc1ncc(Br)cc1S(=O)(=O)NCCN(CC)CC
InChIInChI=1S/C13H23BrN4O2S/c1-4-15-13-12(9-11(14)10-16-13)21(19,20)17-7-8-18(5-2)6-3/h9-10,17H,4-8H2,1-3H3,(H,15,16)
InChIKeyTVVSEISGQIDQTQ-UHFFFAOYSA-N
MW379.32 g/mol
LogP1.90
Rot. Bonds9

About 5-bromo-N-[2-(diethylamino)ethyl]-2-(ethylamino)pyridine-3-sulfonamide

5-bromo-N-[2-(diethylamino)ethyl]-2-(ethylamino)pyridine-3-sulfonamide (PubChem CID 62150579) has the molecular formula C13H23BrN4O2S and a molecular weight of 379.32 g/mol. Its IUPAC name is 5-bromo-N-[2-(diethylamino)ethyl]-2-(ethylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[2-(diethylamino)ethyl]-2-(ethylamino)pyridine-3-sulfonamide
PubChem CID62150579
Molecular FormulaC13H23BrN4O2S
Molecular Weight379.32 g/mol
Exact Mass378.07
IUPAC Name5-bromo-N-[2-(diethylamino)ethyl]-2-(ethylamino)pyridine-3-sulfonamide
SMILESCCNc1ncc(Br)cc1S(=O)(=O)NCCN(CC)CC
InChIInChI=1S/C13H23BrN4O2S/c1-4-15-13-12(9-11(14)10-16-13)21(19,20)17-7-8-18(5-2)6-3/h9-10,17H,4-8H2,1-3H3,(H,15,16)
InChIKeyTVVSEISGQIDQTQ-UHFFFAOYSA-N
XLogP1.90
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.32
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]pyridine-3-sulfonamide
CID 62641481
5-bromo-2-(ethylamino)-N-[2-(methanesulfonamido)ethyl]pyridine-3-sulfonamide
CID 62146629
2-amino-5-bromo-N-[2-(diethylamino)ethyl]pyridine-3-sulfonamide
CID 22515875
5-bromo-2-(ethylamino)-N-(3-sulfamoylpropyl)pyridine-3-sulfonamide
CID 62158378
5-bromo-2-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide
CID 63962280
5-bromo-2-(ethylamino)-N-(2-propan-2-yloxyethyl)pyridine-3-sulfonamide
CID 104765396
5-bromo-2-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 62148821
5-bromo-2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-sulfonamide
CID 106408019
5-bromo-N-[2-(dimethylamino)ethyl]-2-hydrazinylpyridine-3-sulfonamide
CID 61299692
5-bromo-2-(ethylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-sulfonamide
CID 106407836
5-bromo-N-cyclopentyl-2-(ethylamino)pyridine-3-sulfonamide
CID 62148815
5-bromo-N-(2-ethoxyethyl)-2-(propylamino)pyridine-3-sulfonamide
CID 62163667

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(diethylamino)ethyl]-2-(ethylamino)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-[2-(diethylamino)ethyl]-2-(ethylamino)pyridine-3-sulfonamide (CID 62150579) is 5-bromo-N-[2-(diethylamino)ethyl]-2-(ethylamino)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-[2-(diethylamino)ethyl]-2-(ethylamino)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-[2-(diethylamino)ethyl]-2-(ethylamino)pyridine-3-sulfonamide is CCNc1ncc(Br)cc1S(=O)(=O)NCCN(CC)CC.
What is the InChIKey of 5-bromo-N-[2-(diethylamino)ethyl]-2-(ethylamino)pyridine-3-sulfonamide?
The InChIKey is TVVSEISGQIDQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23BrN4O2S/c1-4-15-13-12(9-11(14)10-16-13)21(19,20)17-7-8-18(5-2)6-3/h9-10,17H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 5-bromo-N-[2-(diethylamino)ethyl]-2-(ethylamino)pyridine-3-sulfonamide?
5-bromo-N-[2-(diethylamino)ethyl]-2-(ethylamino)pyridine-3-sulfonamide has a molecular weight of 379.32 g/mol, XLogP of 1.90, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(diethylamino)ethyl]-2-(ethylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 62150579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).