3-[(5-bromo-3-pyridinyl)sulfonylamino]-N-ethylpropanamide

C10H14BrN3O3S — CID 113411019

IUPAC3-[(5-bromo-3-pyridinyl)sulfonylamino]-N-ethylpropanamide
SMILESCCNC(=O)CCNS(=O)(=O)c1cncc(Br)c1
InChIInChI=1S/C10H14BrN3O3S/c1-2-13-10(15)3-4-14-18(16,17)9-5-8(11)6-12-7-9/h5-7,14H,2-4H2,1H3,(H,13,15)
InChIKeyAIJJTAKMSXKFBO-UHFFFAOYSA-N
MW336.21 g/mol
LogP0.65
Rot. Bonds6

About 3-[(5-bromo-3-pyridinyl)sulfonylamino]-N-ethylpropanamide

3-[(5-bromo-3-pyridinyl)sulfonylamino]-N-ethylpropanamide (PubChem CID 113411019) has the molecular formula C10H14BrN3O3S and a molecular weight of 336.21 g/mol. Its IUPAC name is 3-[(5-bromo-3-pyridinyl)sulfonylamino]-N-ethylpropanamide.

Molecular Properties

Compound Name3-[(5-bromo-3-pyridinyl)sulfonylamino]-N-ethylpropanamide
PubChem CID113411019
Molecular FormulaC10H14BrN3O3S
Molecular Weight336.21 g/mol
Exact Mass334.99
IUPAC Name3-[(5-bromo-3-pyridinyl)sulfonylamino]-N-ethylpropanamide
SMILESCCNC(=O)CCNS(=O)(=O)c1cncc(Br)c1
InChIInChI=1S/C10H14BrN3O3S/c1-2-13-10(15)3-4-14-18(16,17)9-5-8(11)6-12-7-9/h5-7,14H,2-4H2,1H3,(H,13,15)
InChIKeyAIJJTAKMSXKFBO-UHFFFAOYSA-N
XLogP0.65
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.21
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[2-(ethylamino)ethyl]pyridine-3-sulfonamide
CID 62665108
5-bromo-N-(3,3-dimethylbutyl)pyridine-3-sulfonamide
CID 115596600
5-bromo-N-(2-methylsulfinylethyl)pyridine-3-sulfonamide
CID 76848572
5-bromo-N-(5-hydroxypentyl)pyridine-3-sulfonamide
CID 107319453
5-bromo-N-methylpyridine-3-sulfonamide
CID 46738979
5-bromo-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide
CID 65110693
3-[(4-chlorophenyl)sulfonylamino]-N-ethylpropanamide
CID 17225661
5-bromo-N-(4-chlorobutyl)pyridine-3-sulfonamide
CID 106846555
3-[(3,4-difluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 47101447
5-bromo-N-(2-pyrrol-1-ylethyl)pyridine-3-sulfonamide
CID 103731692
5-bromo-N-(6-chlorohexyl)pyridine-3-sulfonamide
CID 107849139
4-[(5-bromo-3-pyridinyl)sulfonylamino]-4-methylpentanoic acid
CID 62043738

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-3-pyridinyl)sulfonylamino]-N-ethylpropanamide?
The IUPAC name of 3-[(5-bromo-3-pyridinyl)sulfonylamino]-N-ethylpropanamide (CID 113411019) is 3-[(5-bromo-3-pyridinyl)sulfonylamino]-N-ethylpropanamide.
What is the SMILES notation for 3-[(5-bromo-3-pyridinyl)sulfonylamino]-N-ethylpropanamide?
The canonical SMILES for 3-[(5-bromo-3-pyridinyl)sulfonylamino]-N-ethylpropanamide is CCNC(=O)CCNS(=O)(=O)c1cncc(Br)c1.
What is the InChIKey of 3-[(5-bromo-3-pyridinyl)sulfonylamino]-N-ethylpropanamide?
The InChIKey is AIJJTAKMSXKFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O3S/c1-2-13-10(15)3-4-14-18(16,17)9-5-8(11)6-12-7-9/h5-7,14H,2-4H2,1H3,(H,13,15).
What are the key properties of 3-[(5-bromo-3-pyridinyl)sulfonylamino]-N-ethylpropanamide?
3-[(5-bromo-3-pyridinyl)sulfonylamino]-N-ethylpropanamide has a molecular weight of 336.21 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-3-pyridinyl)sulfonylamino]-N-ethylpropanamide is sourced from PubChem (CID 113411019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).