N'-propan-2-yl-4-propan-2-ylsulfonylbenzohydrazide

C13H20N2O3S — CID 30341

IUPACN'-propan-2-yl-4-propan-2-ylsulfonylbenzohydrazide
SMILESCC(C)NNC(=O)c1ccc(S(=O)(=O)C(C)C)cc1
InChIInChI=1S/C13H20N2O3S/c1-9(2)14-15-13(16)11-5-7-12(8-6-11)19(17,18)10(3)4/h5-10,14H,1-4H3,(H,15,16)
InChIKeyARWUABXTKCXHSC-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.51
Rot. Bonds5

About N'-propan-2-yl-4-propan-2-ylsulfonylbenzohydrazide

N'-propan-2-yl-4-propan-2-ylsulfonylbenzohydrazide (PubChem CID 30341) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N'-propan-2-yl-4-propan-2-ylsulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-propan-2-yl-4-propan-2-ylsulfonylbenzohydrazide
PubChem CID30341
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN'-propan-2-yl-4-propan-2-ylsulfonylbenzohydrazide
SMILESCC(C)NNC(=O)c1ccc(S(=O)(=O)C(C)C)cc1
InChIInChI=1S/C13H20N2O3S/c1-9(2)14-15-13(16)11-5-7-12(8-6-11)19(17,18)10(3)4/h5-10,14H,1-4H3,(H,15,16)
InChIKeyARWUABXTKCXHSC-UHFFFAOYSA-N
XLogP1.51
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.51
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

4-(Hydrazinecarbonyl)benzenesulfonamide
CID 318174
N-[2-(diethylamino)ethyl]-4-(hydrazinecarbonyl)benzene-1-sulfonamide
CID 2446584
Benzamide, p-(isopropylsulfonyl)-
CID 210035
N,N-diethyl-4-{[2-(2-thienylcarbonyl)hydrazino]carbonyl}benzenesulfonamide
CID 1381288
N'-[2-(4-methylphenyl)sulfanylacetyl]-4-methylsulfonylbenzohydrazide
CID 4796702
4-Methyl-N-{4-[N''-(thiophene-2-carbonyl)-hydrazinocarbonyl]-cyclohexylmethyl}-benzenesulfonamide
CID 44370240
N'-[2-(2,4-dimethylphenyl)sulfanylacetyl]benzohydrazide
CID 2708619
2-fluoro-N'-[3-(4-methylphenyl)sulfanylpropanoyl]benzohydrazide
CID 9533574
Benzamide, N-isopropyl-p-(isopropylsulfonyl)-
CID 205697
Benzamide, N-allyl-p-(isopropylsulfonyl)-
CID 210039
4-Methanesulfonylbenzamide
CID 15640625
4-Methylsulfanylbenzohydrazide
CID 265435

Frequently Asked Questions

What is the IUPAC name of N'-propan-2-yl-4-propan-2-ylsulfonylbenzohydrazide?
The IUPAC name of N'-propan-2-yl-4-propan-2-ylsulfonylbenzohydrazide (CID 30341) is N'-propan-2-yl-4-propan-2-ylsulfonylbenzohydrazide.
What is the SMILES notation for N'-propan-2-yl-4-propan-2-ylsulfonylbenzohydrazide?
The canonical SMILES for N'-propan-2-yl-4-propan-2-ylsulfonylbenzohydrazide is CC(C)NNC(=O)c1ccc(S(=O)(=O)C(C)C)cc1.
What is the InChIKey of N'-propan-2-yl-4-propan-2-ylsulfonylbenzohydrazide?
The InChIKey is ARWUABXTKCXHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-9(2)14-15-13(16)11-5-7-12(8-6-11)19(17,18)10(3)4/h5-10,14H,1-4H3,(H,15,16).
What are the key properties of N'-propan-2-yl-4-propan-2-ylsulfonylbenzohydrazide?
N'-propan-2-yl-4-propan-2-ylsulfonylbenzohydrazide has a molecular weight of 284.38 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propan-2-yl-4-propan-2-ylsulfonylbenzohydrazide is sourced from PubChem (CID 30341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).