3-(4-bromophenyl)sulfonyl-N-hydroxyheptanamide

C13H18BrNO4S — CID 10690119

IUPAC3-(4-bromophenyl)sulfonyl-N-hydroxyheptanamide
SMILESCCCCC(CC(=O)NO)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C13H18BrNO4S/c1-2-3-4-12(9-13(16)15-17)20(18,19)11-7-5-10(14)6-8-11/h5-8,12,17H,2-4,9H2,1H3,(H,15,16)
InChIKeyJKKBPRKOAWXEMP-UHFFFAOYSA-N
MW364.26 g/mol
LogP2.68
Rot. Bonds7

About 3-(4-bromophenyl)sulfonyl-N-hydroxyheptanamide

3-(4-bromophenyl)sulfonyl-N-hydroxyheptanamide (PubChem CID 10690119) has the molecular formula C13H18BrNO4S and a molecular weight of 364.26 g/mol. Its IUPAC name is 3-(4-bromophenyl)sulfonyl-N-hydroxyheptanamide.

Molecular Properties

Compound Name3-(4-bromophenyl)sulfonyl-N-hydroxyheptanamide
PubChem CID10690119
Molecular FormulaC13H18BrNO4S
Molecular Weight364.26 g/mol
Exact Mass363.01
IUPAC Name3-(4-bromophenyl)sulfonyl-N-hydroxyheptanamide
SMILESCCCCC(CC(=O)NO)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C13H18BrNO4S/c1-2-3-4-12(9-13(16)15-17)20(18,19)11-7-5-10(14)6-8-11/h5-8,12,17H,2-4,9H2,1H3,(H,15,16)
InChIKeyJKKBPRKOAWXEMP-UHFFFAOYSA-N
XLogP2.68
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.26
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-hexan-2-ylbenzenesulfonamide
CID 55050164
2-(4-bromophenyl)sulfonylpentan-3-one
CID 64866533
2-[(4-bromophenyl)sulfonyl-butylamino]acetamide
CID 47204425
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(2R)-pentan-2-yl]acetamide
CID 27254891
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-ethylamino]acetamide
CID 28547717
2-[(4-aminophenyl)sulfonyl-butylamino]-N-hydroxyacetamide
CID 141159834
2-[(4-bromophenyl)sulfonylamino]-N-pentylacetamide
CID 112995289
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-butylpropanamide
CID 40579947
N-(4-bromophenyl)sulfonyl-N-pentylacetamide
CID 146458811
N-(4-bromophenyl)sulfonyl-3-methylbutanamide
CID 47108774
4-bromo-N-[(2S,3R)-1-hydroxy-3-propylnonan-2-yl]benzenesulfonamide
CID 10387409
3-amino-3-(4-bromophenyl)sulfonylpropanoic acid
CID 117037426

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)sulfonyl-N-hydroxyheptanamide?
The IUPAC name of 3-(4-bromophenyl)sulfonyl-N-hydroxyheptanamide (CID 10690119) is 3-(4-bromophenyl)sulfonyl-N-hydroxyheptanamide.
What is the SMILES notation for 3-(4-bromophenyl)sulfonyl-N-hydroxyheptanamide?
The canonical SMILES for 3-(4-bromophenyl)sulfonyl-N-hydroxyheptanamide is CCCCC(CC(=O)NO)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)sulfonyl-N-hydroxyheptanamide?
The InChIKey is JKKBPRKOAWXEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO4S/c1-2-3-4-12(9-13(16)15-17)20(18,19)11-7-5-10(14)6-8-11/h5-8,12,17H,2-4,9H2,1H3,(H,15,16).
What are the key properties of 3-(4-bromophenyl)sulfonyl-N-hydroxyheptanamide?
3-(4-bromophenyl)sulfonyl-N-hydroxyheptanamide has a molecular weight of 364.26 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)sulfonyl-N-hydroxyheptanamide is sourced from PubChem (CID 10690119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).