N'-(5-bromo-2-methoxyphenyl)sulfonylpropanehydrazide

C10H13BrN2O4S — CID 8505522

IUPACN'-(5-bromo-2-methoxyphenyl)sulfonylpropanehydrazide
SMILESCCC(=O)NNS(=O)(=O)c1cc(Br)ccc1OC
InChIInChI=1S/C10H13BrN2O4S/c1-3-10(14)12-13-18(15,16)9-6-7(11)4-5-8(9)17-2/h4-6,13H,3H2,1-2H3,(H,12,14)
InChIKeyIRGNLXZJIKOQBO-UHFFFAOYSA-N
MW337.20 g/mol
LogP1.18
Rot. Bonds5

About N'-(5-bromo-2-methoxyphenyl)sulfonylpropanehydrazide

N'-(5-bromo-2-methoxyphenyl)sulfonylpropanehydrazide (PubChem CID 8505522) has the molecular formula C10H13BrN2O4S and a molecular weight of 337.20 g/mol. Its IUPAC name is N'-(5-bromo-2-methoxyphenyl)sulfonylpropanehydrazide.

Molecular Properties

Compound NameN'-(5-bromo-2-methoxyphenyl)sulfonylpropanehydrazide
PubChem CID8505522
Molecular FormulaC10H13BrN2O4S
Molecular Weight337.20 g/mol
Exact Mass335.98
IUPAC NameN'-(5-bromo-2-methoxyphenyl)sulfonylpropanehydrazide
SMILESCCC(=O)NNS(=O)(=O)c1cc(Br)ccc1OC
InChIInChI=1S/C10H13BrN2O4S/c1-3-10(14)12-13-18(15,16)9-6-7(11)4-5-8(9)17-2/h4-6,13H,3H2,1-2H3,(H,12,14)
InChIKeyIRGNLXZJIKOQBO-UHFFFAOYSA-N
XLogP1.18
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.20
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-bromo-2-methoxyphenyl)sulfonylbenzohydrazide
CID 26966791
2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-propylacetamide
CID 17428914
3-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-propylpropanamide
CID 61060914
2-[(5-bromo-2-methoxyphenyl)sulfonylamino]butanedioic acid
CID 78907344
(2S)-2-[(5-bromo-2-methoxyphenyl)sulfonylamino]hexanoic acid
CID 104934669
5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)-2-methoxybenzenesulfonamide
CID 64557804
ethyl 3-[(5-bromo-2-methoxyphenyl)sulfonylamino]propanoate
CID 3787204
2-[(5-bromo-2-methoxyphenyl)sulfonylamino]pentanoic acid
CID 43631274
N-(2-amino-2-methylpropyl)-5-bromo-2-methoxybenzenesulfonamide
CID 113282767
5-bromo-2-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide
CID 3859301
N'-(5-bromo-2-methylphenyl)sulfonyl-3-methylbutanehydrazide
CID 8518022
5-bromo-N-(4-hydroxybutan-2-yl)-2-methoxybenzenesulfonamide
CID 113318211

Frequently Asked Questions

What is the IUPAC name of N'-(5-bromo-2-methoxyphenyl)sulfonylpropanehydrazide?
The IUPAC name of N'-(5-bromo-2-methoxyphenyl)sulfonylpropanehydrazide (CID 8505522) is N'-(5-bromo-2-methoxyphenyl)sulfonylpropanehydrazide.
What is the SMILES notation for N'-(5-bromo-2-methoxyphenyl)sulfonylpropanehydrazide?
The canonical SMILES for N'-(5-bromo-2-methoxyphenyl)sulfonylpropanehydrazide is CCC(=O)NNS(=O)(=O)c1cc(Br)ccc1OC.
What is the InChIKey of N'-(5-bromo-2-methoxyphenyl)sulfonylpropanehydrazide?
The InChIKey is IRGNLXZJIKOQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O4S/c1-3-10(14)12-13-18(15,16)9-6-7(11)4-5-8(9)17-2/h4-6,13H,3H2,1-2H3,(H,12,14).
What are the key properties of N'-(5-bromo-2-methoxyphenyl)sulfonylpropanehydrazide?
N'-(5-bromo-2-methoxyphenyl)sulfonylpropanehydrazide has a molecular weight of 337.20 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromo-2-methoxyphenyl)sulfonylpropanehydrazide is sourced from PubChem (CID 8505522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).