N-(4-bromo-3-methylphenyl)methanesulfonohydrazide

C8H11BrN2O2S — CID 82307190

IUPACN-(4-bromo-3-methylphenyl)methanesulfonohydrazide
SMILESCc1cc(N(N)S(C)(=O)=O)ccc1Br
InChIInChI=1S/C8H11BrN2O2S/c1-6-5-7(3-4-8(6)9)11(10)14(2,12)13/h3-5H,10H2,1-2H3
InChIKeyGMLMOZBBFUXKEN-UHFFFAOYSA-N
MW279.16 g/mol
LogP1.40
Rot. Bonds2

About N-(4-bromo-3-methylphenyl)methanesulfonohydrazide

N-(4-bromo-3-methylphenyl)methanesulfonohydrazide (PubChem CID 82307190) has the molecular formula C8H11BrN2O2S and a molecular weight of 279.16 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)methanesulfonohydrazide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)methanesulfonohydrazide
PubChem CID82307190
Molecular FormulaC8H11BrN2O2S
Molecular Weight279.16 g/mol
Exact Mass277.97
IUPAC NameN-(4-bromo-3-methylphenyl)methanesulfonohydrazide
SMILESCc1cc(N(N)S(C)(=O)=O)ccc1Br
InChIInChI=1S/C8H11BrN2O2S/c1-6-5-7(3-4-8(6)9)11(10)14(2,12)13/h3-5H,10H2,1-2H3
InChIKeyGMLMOZBBFUXKEN-UHFFFAOYSA-N
XLogP1.40
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.16
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)methanesulfonohydrazide?
The IUPAC name of N-(4-bromo-3-methylphenyl)methanesulfonohydrazide (CID 82307190) is N-(4-bromo-3-methylphenyl)methanesulfonohydrazide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)methanesulfonohydrazide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)methanesulfonohydrazide is Cc1cc(N(N)S(C)(=O)=O)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)methanesulfonohydrazide?
The InChIKey is GMLMOZBBFUXKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O2S/c1-6-5-7(3-4-8(6)9)11(10)14(2,12)13/h3-5H,10H2,1-2H3.
What are the key properties of N-(4-bromo-3-methylphenyl)methanesulfonohydrazide?
N-(4-bromo-3-methylphenyl)methanesulfonohydrazide has a molecular weight of 279.16 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)methanesulfonohydrazide is sourced from PubChem (CID 82307190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).