N'-[3-(benzenesulfonyl)propanoyl]-2-(3-bromophenoxy)propanehydrazide

C18H19BrN2O5S — CID 4791447

IUPACN'-[3-(benzenesulfonyl)propanoyl]-2-(3-bromophenoxy)propanehydrazide
SMILESCC(Oc1cccc(Br)c1)C(=O)NNC(=O)CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H19BrN2O5S/c1-13(26-15-7-5-6-14(19)12-15)18(23)21-20-17(22)10-11-27(24,25)16-8-3-2-4-9-16/h2-9,12-13H,10-11H2,1H3,(H,20,22)(H,21,23)
InChIKeyLNMPBDBOFYONJJ-UHFFFAOYSA-N
MW455.33 g/mol
LogP2.23
Rot. Bonds7

About N'-[3-(benzenesulfonyl)propanoyl]-2-(3-bromophenoxy)propanehydrazide

N'-[3-(benzenesulfonyl)propanoyl]-2-(3-bromophenoxy)propanehydrazide (PubChem CID 4791447) has the molecular formula C18H19BrN2O5S and a molecular weight of 455.33 g/mol. Its IUPAC name is N'-[3-(benzenesulfonyl)propanoyl]-2-(3-bromophenoxy)propanehydrazide.

Molecular Properties

Compound NameN'-[3-(benzenesulfonyl)propanoyl]-2-(3-bromophenoxy)propanehydrazide
PubChem CID4791447
Molecular FormulaC18H19BrN2O5S
Molecular Weight455.33 g/mol
Exact Mass454.02
IUPAC NameN'-[3-(benzenesulfonyl)propanoyl]-2-(3-bromophenoxy)propanehydrazide
SMILESCC(Oc1cccc(Br)c1)C(=O)NNC(=O)CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H19BrN2O5S/c1-13(26-15-7-5-6-14(19)12-15)18(23)21-20-17(22)10-11-27(24,25)16-8-3-2-4-9-16/h2-9,12-13H,10-11H2,1H3,(H,20,22)(H,21,23)
InChIKeyLNMPBDBOFYONJJ-UHFFFAOYSA-N
XLogP2.23
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.33
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromophenoxy)-N'-(2-phenoxyacetyl)propanehydrazide
CID 51161488
(2R)-2-(3-bromophenoxy)-N'-(2-methylsulfanylacetyl)propanehydrazide
CID 9370776
2-(3-bromophenoxy)-N'-[2-(2-phenoxyethoxy)acetyl]propanehydrazide
CID 55789410
(2S)-2-(3-bromophenoxy)-N'-[2-(2-fluorophenyl)acetyl]propanehydrazide
CID 9371251
N'-[2-(3-bromophenoxy)propanoyl]-2-methylbutanehydrazide
CID 43042560
N'-[2-(3-bromophenoxy)propanoyl]-4-(4-methoxyphenoxy)butanehydrazide
CID 55347940
(2R)-2-(3-bromophenoxy)-N'-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]propanehydrazide
CID 9154984
(2R)-2-(3-bromophenoxy)-N'-(3-pyridin-3-ylpropanoyl)propanehydrazide
CID 9154957
(2S)-2-(3-bromophenoxy)-N'-[2-(4-chlorophenyl)acetyl]propanehydrazide
CID 9371143
(2R)-2-(3-bromophenoxy)-N'-[2-(3-fluorophenyl)acetyl]propanehydrazide
CID 9371318
(2R)-2-(3-bromophenoxy)-N'-[2-(3,4-dimethylphenyl)acetyl]propanehydrazide
CID 9370726
N'-[2-(2,4-dibromophenoxy)acetyl]-2-phenoxypropanehydrazide
CID 4940104

Frequently Asked Questions

What is the IUPAC name of N'-[3-(benzenesulfonyl)propanoyl]-2-(3-bromophenoxy)propanehydrazide?
The IUPAC name of N'-[3-(benzenesulfonyl)propanoyl]-2-(3-bromophenoxy)propanehydrazide (CID 4791447) is N'-[3-(benzenesulfonyl)propanoyl]-2-(3-bromophenoxy)propanehydrazide.
What is the SMILES notation for N'-[3-(benzenesulfonyl)propanoyl]-2-(3-bromophenoxy)propanehydrazide?
The canonical SMILES for N'-[3-(benzenesulfonyl)propanoyl]-2-(3-bromophenoxy)propanehydrazide is CC(Oc1cccc(Br)c1)C(=O)NNC(=O)CCS(=O)(=O)c1ccccc1.
What is the InChIKey of N'-[3-(benzenesulfonyl)propanoyl]-2-(3-bromophenoxy)propanehydrazide?
The InChIKey is LNMPBDBOFYONJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O5S/c1-13(26-15-7-5-6-14(19)12-15)18(23)21-20-17(22)10-11-27(24,25)16-8-3-2-4-9-16/h2-9,12-13H,10-11H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-[3-(benzenesulfonyl)propanoyl]-2-(3-bromophenoxy)propanehydrazide?
N'-[3-(benzenesulfonyl)propanoyl]-2-(3-bromophenoxy)propanehydrazide has a molecular weight of 455.33 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(benzenesulfonyl)propanoyl]-2-(3-bromophenoxy)propanehydrazide is sourced from PubChem (CID 4791447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).