2-(2-bromophenyl)sulfanylpentanehydrazide

C11H15BrN2OS — CID 83047435

IUPAC2-(2-bromophenyl)sulfanylpentanehydrazide
SMILESCCCC(Sc1ccccc1Br)C(=O)NN
InChIInChI=1S/C11H15BrN2OS/c1-2-5-10(11(15)14-13)16-9-7-4-3-6-8(9)12/h3-4,6-7,10H,2,5,13H2,1H3,(H,14,15)
InChIKeyNEZCSBMHFVLIRS-UHFFFAOYSA-N
MW303.22 g/mol
LogP2.70
Rot. Bonds5

About 2-(2-bromophenyl)sulfanylpentanehydrazide

2-(2-bromophenyl)sulfanylpentanehydrazide (PubChem CID 83047435) has the molecular formula C11H15BrN2OS and a molecular weight of 303.22 g/mol. Its IUPAC name is 2-(2-bromophenyl)sulfanylpentanehydrazide.

Molecular Properties

Compound Name2-(2-bromophenyl)sulfanylpentanehydrazide
PubChem CID83047435
Molecular FormulaC11H15BrN2OS
Molecular Weight303.22 g/mol
Exact Mass302.01
IUPAC Name2-(2-bromophenyl)sulfanylpentanehydrazide
SMILESCCCC(Sc1ccccc1Br)C(=O)NN
InChIInChI=1S/C11H15BrN2OS/c1-2-5-10(11(15)14-13)16-9-7-4-3-6-8(9)12/h3-4,6-7,10H,2,5,13H2,1H3,(H,14,15)
InChIKeyNEZCSBMHFVLIRS-UHFFFAOYSA-N
XLogP2.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.22
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-amino-2-methylphenyl)sulfanylpentanehydrazide
CID 83048618
2-(2-bromophenyl)sulfanyl-3-methylbutanehydrazide
CID 63581762
2-(5-amino-2-chlorophenyl)sulfanylpentanehydrazide
CID 83048344
ethyl 2-(2-methylphenyl)sulfanylpentanoate
CID 79004796
2-(1-carboxybutylsulfanyl)benzoic acid
CID 71364453
2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]pentanehydrazide
CID 83048615
(2S)-2-[2-[[(2R)-2-methylpentanoyl]amino]phenyl]sulfanylpentanoic acid
CID 40803024
2-(2-fluorophenyl)sulfanyl-3-methoxypropanehydrazide
CID 103229904
2-(2-amino-4-bromophenyl)sulfanylbutanehydrazide
CID 63589381
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pentanehydrazide
CID 83048478
3-phenylsulfanylhexan-2-one
CID 11117277
2-(2-bromophenyl)sulfanyl-N-carbamoyl-3-methylbutanamide
CID 24527832

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)sulfanylpentanehydrazide?
The IUPAC name of 2-(2-bromophenyl)sulfanylpentanehydrazide (CID 83047435) is 2-(2-bromophenyl)sulfanylpentanehydrazide.
What is the SMILES notation for 2-(2-bromophenyl)sulfanylpentanehydrazide?
The canonical SMILES for 2-(2-bromophenyl)sulfanylpentanehydrazide is CCCC(Sc1ccccc1Br)C(=O)NN.
What is the InChIKey of 2-(2-bromophenyl)sulfanylpentanehydrazide?
The InChIKey is NEZCSBMHFVLIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2OS/c1-2-5-10(11(15)14-13)16-9-7-4-3-6-8(9)12/h3-4,6-7,10H,2,5,13H2,1H3,(H,14,15).
What are the key properties of 2-(2-bromophenyl)sulfanylpentanehydrazide?
2-(2-bromophenyl)sulfanylpentanehydrazide has a molecular weight of 303.22 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)sulfanylpentanehydrazide is sourced from PubChem (CID 83047435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).