N'-(4-bromophenyl)sulfonyl-3-methylbutanehydrazide

C11H15BrN2O3S — CID 26951710

IUPACN'-(4-bromophenyl)sulfonyl-3-methylbutanehydrazide
SMILESCC(C)CC(=O)NNS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H15BrN2O3S/c1-8(2)7-11(15)13-14-18(16,17)10-5-3-9(12)4-6-10/h3-6,8,14H,7H2,1-2H3,(H,13,15)
InChIKeyJBWQEPFEPQQUKQ-UHFFFAOYSA-N
MW335.22 g/mol
LogP1.80
Rot. Bonds5

About N'-(4-bromophenyl)sulfonyl-3-methylbutanehydrazide

N'-(4-bromophenyl)sulfonyl-3-methylbutanehydrazide (PubChem CID 26951710) has the molecular formula C11H15BrN2O3S and a molecular weight of 335.22 g/mol. Its IUPAC name is N'-(4-bromophenyl)sulfonyl-3-methylbutanehydrazide.

Molecular Properties

Compound NameN'-(4-bromophenyl)sulfonyl-3-methylbutanehydrazide
PubChem CID26951710
Molecular FormulaC11H15BrN2O3S
Molecular Weight335.22 g/mol
Exact Mass334.00
IUPAC NameN'-(4-bromophenyl)sulfonyl-3-methylbutanehydrazide
SMILESCC(C)CC(=O)NNS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H15BrN2O3S/c1-8(2)7-11(15)13-14-18(16,17)10-5-3-9(12)4-6-10/h3-6,8,14H,7H2,1-2H3,(H,13,15)
InChIKeyJBWQEPFEPQQUKQ-UHFFFAOYSA-N
XLogP1.80
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.22
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromophenyl)sulfonyl-3-methylbutanamide
CID 47108774
N'-(5-bromo-2-methylphenyl)sulfonyl-3-methylbutanehydrazide
CID 8518022
N-[4-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]phenyl]-3-methylbutanamide
CID 33033362
N'-[4-(2-methoxyethoxy)-3-methylphenyl]sulfonyl-3-methylbutanehydrazide
CID 46417508
2-(4-bromophenyl)-N'-(4-ethoxyphenyl)sulfonylacetohydrazide
CID 7478651
2-[(4-bromophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide
CID 112990736
N'-(4-bromophenyl)sulfonyl-2-(4-cyanophenoxy)acetohydrazide
CID 2420734
1-N',4-N'-bis-(4-methylphenyl)sulfonylbutanedihydrazide
CID 5153632
4-bromo-N-(3-methyl-2-oxobutyl)benzenesulfonamide
CID 64996479
N-[4-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]phenyl]-3-methylbutanamide
CID 38950843
4-bromo-N-(3-methylbutyl)benzenesulfonamide
CID 669771
methyl 2-[(4-bromophenyl)sulfonylamino]acetate
CID 669307

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromophenyl)sulfonyl-3-methylbutanehydrazide?
The IUPAC name of N'-(4-bromophenyl)sulfonyl-3-methylbutanehydrazide (CID 26951710) is N'-(4-bromophenyl)sulfonyl-3-methylbutanehydrazide.
What is the SMILES notation for N'-(4-bromophenyl)sulfonyl-3-methylbutanehydrazide?
The canonical SMILES for N'-(4-bromophenyl)sulfonyl-3-methylbutanehydrazide is CC(C)CC(=O)NNS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of N'-(4-bromophenyl)sulfonyl-3-methylbutanehydrazide?
The InChIKey is JBWQEPFEPQQUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O3S/c1-8(2)7-11(15)13-14-18(16,17)10-5-3-9(12)4-6-10/h3-6,8,14H,7H2,1-2H3,(H,13,15).
What are the key properties of N'-(4-bromophenyl)sulfonyl-3-methylbutanehydrazide?
N'-(4-bromophenyl)sulfonyl-3-methylbutanehydrazide has a molecular weight of 335.22 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromophenyl)sulfonyl-3-methylbutanehydrazide is sourced from PubChem (CID 26951710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).