3-[(3-bromophenyl)sulfonylamino]-N-(1-pyridin-3-ylethyl)propanamide

C16H18BrN3O3S — CID 55376241

IUPAC3-[(3-bromophenyl)sulfonylamino]-N-(1-pyridin-3-ylethyl)propanamide
SMILESCC(NC(=O)CCNS(=O)(=O)c1cccc(Br)c1)c1cccnc1
InChIInChI=1S/C16H18BrN3O3S/c1-12(13-4-3-8-18-11-13)20-16(21)7-9-19-24(22,23)15-6-2-5-14(17)10-15/h2-6,8,10-12,19H,7,9H2,1H3,(H,20,21)
InChIKeyHKCODNQUQSFYJK-UHFFFAOYSA-N
MW412.31 g/mol
LogP2.39
Rot. Bonds7

About 3-[(3-bromophenyl)sulfonylamino]-N-(1-pyridin-3-ylethyl)propanamide

3-[(3-bromophenyl)sulfonylamino]-N-(1-pyridin-3-ylethyl)propanamide (PubChem CID 55376241) has the molecular formula C16H18BrN3O3S and a molecular weight of 412.31 g/mol. Its IUPAC name is 3-[(3-bromophenyl)sulfonylamino]-N-(1-pyridin-3-ylethyl)propanamide.

Molecular Properties

Compound Name3-[(3-bromophenyl)sulfonylamino]-N-(1-pyridin-3-ylethyl)propanamide
PubChem CID55376241
Molecular FormulaC16H18BrN3O3S
Molecular Weight412.31 g/mol
Exact Mass411.03
IUPAC Name3-[(3-bromophenyl)sulfonylamino]-N-(1-pyridin-3-ylethyl)propanamide
SMILESCC(NC(=O)CCNS(=O)(=O)c1cccc(Br)c1)c1cccnc1
InChIInChI=1S/C16H18BrN3O3S/c1-12(13-4-3-8-18-11-13)20-16(21)7-9-19-24(22,23)15-6-2-5-14(17)10-15/h2-6,8,10-12,19H,7,9H2,1H3,(H,20,21)
InChIKeyHKCODNQUQSFYJK-UHFFFAOYSA-N
XLogP2.39
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.31
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-bromophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide
CID 55346369
3-[(3-bromophenyl)sulfonylamino]-N-(3-methylbutan-2-yl)propanamide
CID 55376365
3-bromo-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 47111104
3-[3-[(3-bromophenyl)sulfonylamino]propanoylamino]butanoic acid
CID 119220969
3-[(3-acetylphenyl)sulfonylamino]-N-(1-pyridin-4-ylethyl)propanamide
CID 52990856
3-[(3-acetylphenyl)sulfonylamino]-N-[(1S)-1-pyridin-4-ylethyl]propanamide
CID 34762575
3-[(3-bromophenyl)sulfonylamino]-N-(1-cyclopropylethyl)propanamide
CID 55408582
(2S)-2-[3-(pyridin-3-ylsulfonylamino)propanoylamino]propanoic acid
CID 119943288
N-[1-(2-methylphenyl)ethyl]-3-(pyridin-3-ylsulfonylamino)propanamide
CID 47027647
N-[1-(2,4-difluorophenyl)ethyl]-3-(pyridin-3-ylsulfonylamino)propanamide
CID 43072375
3-[(3-bromophenyl)sulfonylamino]-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 55408679
N-[1-(3-bromophenyl)ethyl]-3-[(2-chlorophenyl)sulfonylamino]propanamide
CID 55576753

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)sulfonylamino]-N-(1-pyridin-3-ylethyl)propanamide?
The IUPAC name of 3-[(3-bromophenyl)sulfonylamino]-N-(1-pyridin-3-ylethyl)propanamide (CID 55376241) is 3-[(3-bromophenyl)sulfonylamino]-N-(1-pyridin-3-ylethyl)propanamide.
What is the SMILES notation for 3-[(3-bromophenyl)sulfonylamino]-N-(1-pyridin-3-ylethyl)propanamide?
The canonical SMILES for 3-[(3-bromophenyl)sulfonylamino]-N-(1-pyridin-3-ylethyl)propanamide is CC(NC(=O)CCNS(=O)(=O)c1cccc(Br)c1)c1cccnc1.
What is the InChIKey of 3-[(3-bromophenyl)sulfonylamino]-N-(1-pyridin-3-ylethyl)propanamide?
The InChIKey is HKCODNQUQSFYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O3S/c1-12(13-4-3-8-18-11-13)20-16(21)7-9-19-24(22,23)15-6-2-5-14(17)10-15/h2-6,8,10-12,19H,7,9H2,1H3,(H,20,21).
What are the key properties of 3-[(3-bromophenyl)sulfonylamino]-N-(1-pyridin-3-ylethyl)propanamide?
3-[(3-bromophenyl)sulfonylamino]-N-(1-pyridin-3-ylethyl)propanamide has a molecular weight of 412.31 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenyl)sulfonylamino]-N-(1-pyridin-3-ylethyl)propanamide is sourced from PubChem (CID 55376241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).