3-[(3-bromophenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)propanamide

C15H16BrN3O3S — CID 35505773

IUPAC3-[(3-bromophenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)propanamide
SMILESCc1cccc(NC(=O)CCNS(=O)(=O)c2cccc(Br)c2)n1
InChIInChI=1S/C15H16BrN3O3S/c1-11-4-2-7-14(18-11)19-15(20)8-9-17-23(21,22)13-6-3-5-12(16)10-13/h2-7,10,17H,8-9H2,1H3,(H,18,19,20)
InChIKeyLIUCJTZHWBYXDB-UHFFFAOYSA-N
MW398.28 g/mol
LogP2.46
Rot. Bonds6

About 3-[(3-bromophenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)propanamide

3-[(3-bromophenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)propanamide (PubChem CID 35505773) has the molecular formula C15H16BrN3O3S and a molecular weight of 398.28 g/mol. Its IUPAC name is 3-[(3-bromophenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-[(3-bromophenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)propanamide
PubChem CID35505773
Molecular FormulaC15H16BrN3O3S
Molecular Weight398.28 g/mol
Exact Mass397.01
IUPAC Name3-[(3-bromophenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)propanamide
SMILESCc1cccc(NC(=O)CCNS(=O)(=O)c2cccc(Br)c2)n1
InChIInChI=1S/C15H16BrN3O3S/c1-11-4-2-7-14(18-11)19-15(20)8-9-17-23(21,22)13-6-3-5-12(16)10-13/h2-7,10,17H,8-9H2,1H3,(H,18,19,20)
InChIKeyLIUCJTZHWBYXDB-UHFFFAOYSA-N
XLogP2.46
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.28
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-bromo-2-methylphenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)propanamide
CID 47075434
3-[(3-bromophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide
CID 26696299
3-[(3-bromophenyl)sulfonylamino]-N-[4-(propanoylamino)phenyl]propanamide
CID 55846241
3-[(3-bromophenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide
CID 42053193
3-[(3-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)propanamide
CID 9412446
3-[(3-bromophenyl)sulfonylamino]-N-(3-methylbutan-2-yl)propanamide
CID 55376365
3-[(3-bromophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide
CID 55346369
3-[(3-bromophenyl)sulfonylamino]propanamide
CID 60639037
3-[(3-bromophenyl)sulfonylamino]-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]propanamide
CID 55950292
3-[3-[(3-bromophenyl)sulfonylamino]propanoylamino]butanoic acid
CID 119220969
3-[(3-bromophenyl)sulfonylamino]-N-(1-pyridin-3-ylethyl)propanamide
CID 55376241
3-[(3-bromophenyl)sulfonylamino]-N-(1-cyclopropylethyl)propanamide
CID 55408582

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)propanamide?
The IUPAC name of 3-[(3-bromophenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)propanamide (CID 35505773) is 3-[(3-bromophenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for 3-[(3-bromophenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)propanamide?
The canonical SMILES for 3-[(3-bromophenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)propanamide is Cc1cccc(NC(=O)CCNS(=O)(=O)c2cccc(Br)c2)n1.
What is the InChIKey of 3-[(3-bromophenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)propanamide?
The InChIKey is LIUCJTZHWBYXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O3S/c1-11-4-2-7-14(18-11)19-15(20)8-9-17-23(21,22)13-6-3-5-12(16)10-13/h2-7,10,17H,8-9H2,1H3,(H,18,19,20).
What are the key properties of 3-[(3-bromophenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)propanamide?
3-[(3-bromophenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)propanamide has a molecular weight of 398.28 g/mol, XLogP of 2.46, 6 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-(6-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 35505773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).