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

C12H21BrN4O2S — CID 62641481

IUPAC5-bromo-2-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]pyridine-3-sulfonamide
SMILESCCNc1ncc(Br)cc1S(=O)(=O)NCCN(C)CC
InChIInChI=1S/C12H21BrN4O2S/c1-4-14-12-11(8-10(13)9-15-12)20(18,19)16-6-7-17(3)5-2/h8-9,16H,4-7H2,1-3H3,(H,14,15)
InChIKeyGTWWJVZTVLCNAB-UHFFFAOYSA-N
MW365.30 g/mol
LogP1.51
Rot. Bonds8

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

5-bromo-2-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]pyridine-3-sulfonamide (PubChem CID 62641481) has the molecular formula C12H21BrN4O2S and a molecular weight of 365.30 g/mol. Its IUPAC name is 5-bromo-2-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]pyridine-3-sulfonamide
PubChem CID62641481
Molecular FormulaC12H21BrN4O2S
Molecular Weight365.30 g/mol
Exact Mass364.06
IUPAC Name5-bromo-2-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]pyridine-3-sulfonamide
SMILESCCNc1ncc(Br)cc1S(=O)(=O)NCCN(C)CC
InChIInChI=1S/C12H21BrN4O2S/c1-4-14-12-11(8-10(13)9-15-12)20(18,19)16-6-7-17(3)5-2/h8-9,16H,4-7H2,1-3H3,(H,14,15)
InChIKeyGTWWJVZTVLCNAB-UHFFFAOYSA-N
XLogP1.51
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.30
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]pyridine-3-sulfonamide (CID 62641481) is 5-bromo-2-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]pyridine-3-sulfonamide is CCNc1ncc(Br)cc1S(=O)(=O)NCCN(C)CC.
What is the InChIKey of 5-bromo-2-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]pyridine-3-sulfonamide?
The InChIKey is GTWWJVZTVLCNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrN4O2S/c1-4-14-12-11(8-10(13)9-15-12)20(18,19)16-6-7-17(3)5-2/h8-9,16H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 5-bromo-2-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]pyridine-3-sulfonamide?
5-bromo-2-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]pyridine-3-sulfonamide has a molecular weight of 365.30 g/mol, XLogP of 1.51, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 62641481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).