2-butylsulfonylbenzohydrazide

C11H16N2O3S — CID 23293458

IUPAC2-butylsulfonylbenzohydrazide
SMILESCCCCS(=O)(=O)c1ccccc1C(=O)NN
InChIInChI=1S/C11H16N2O3S/c1-2-3-8-17(15,16)10-7-5-4-6-9(10)11(14)13-12/h4-7H,2-3,8,12H2,1H3,(H,13,14)
InChIKeyNNAFRRVZYMWTBQ-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.86
Rot. Bonds5

About 2-butylsulfonylbenzohydrazide

2-butylsulfonylbenzohydrazide (PubChem CID 23293458) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-butylsulfonylbenzohydrazide.

Molecular Properties

Compound Name2-butylsulfonylbenzohydrazide
PubChem CID23293458
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name2-butylsulfonylbenzohydrazide
SMILESCCCCS(=O)(=O)c1ccccc1C(=O)NN
InChIInChI=1S/C11H16N2O3S/c1-2-3-8-17(15,16)10-7-5-4-6-9(10)11(14)13-12/h4-7H,2-3,8,12H2,1H3,(H,13,14)
InChIKeyNNAFRRVZYMWTBQ-UHFFFAOYSA-N
XLogP0.86
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

Analyze 2-butylsulfonylbenzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-2-methylpropyl)-2-propylsulfonylbenzamide;hydrochloride
CID 119629136
2-[(2-propylsulfonylbenzoyl)amino]acetic acid
CID 119171610
2-ethylsulfonyl-N-heptylbenzamide
CID 46779028
2-[(2-propylsulfonylbenzoyl)amino]benzamide
CID 17224890
N-(cyanomethyl)-2-propylsulfonylbenzamide
CID 17224796
N-butan-2-yl-2-propylsulfonylbenzamide
CID 17224858
N-(4-acetamidophenyl)-2-propylsulfonylbenzamide
CID 17224883
N-(3-aminobutyl)-2-propylsulfonylbenzamide
CID 119498167
1-butylsulfonyl-2-(trifluoromethyl)benzene
CID 137474022
N-(2-amino-2-methylpropyl)-2-ethylsulfonylbenzamide
CID 119629127
N-[3-(dimethylamino)propyl]-2-propylsulfonylbenzamide
CID 17224742
N-(3-amino-2-methylpropyl)-2-propylsulfonylbenzamide
CID 119995898

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfonylbenzohydrazide?
The IUPAC name of 2-butylsulfonylbenzohydrazide (CID 23293458) is 2-butylsulfonylbenzohydrazide.
What is the SMILES notation for 2-butylsulfonylbenzohydrazide?
The canonical SMILES for 2-butylsulfonylbenzohydrazide is CCCCS(=O)(=O)c1ccccc1C(=O)NN.
What is the InChIKey of 2-butylsulfonylbenzohydrazide?
The InChIKey is NNAFRRVZYMWTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-2-3-8-17(15,16)10-7-5-4-6-9(10)11(14)13-12/h4-7H,2-3,8,12H2,1H3,(H,13,14).
What are the key properties of 2-butylsulfonylbenzohydrazide?
2-butylsulfonylbenzohydrazide has a molecular weight of 256.33 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfonylbenzohydrazide is sourced from PubChem (CID 23293458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).