N'-methyl-4-propan-2-ylsulfonylbenzohydrazide

C11H16N2O3S — CID 30340

IUPACN'-methyl-4-propan-2-ylsulfonylbenzohydrazide
SMILESCNNC(=O)c1ccc(S(=O)(=O)C(C)C)cc1
InChIInChI=1S/C11H16N2O3S/c1-8(2)17(15,16)10-6-4-9(5-7-10)11(14)13-12-3/h4-8,12H,1-3H3,(H,13,14)
InChIKeyJAPNXSBLBBKSNQ-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.73
Rot. Bonds4

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

N'-methyl-4-propan-2-ylsulfonylbenzohydrazide (PubChem CID 30340) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is N'-methyl-4-propan-2-ylsulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-methyl-4-propan-2-ylsulfonylbenzohydrazide
PubChem CID30340
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC NameN'-methyl-4-propan-2-ylsulfonylbenzohydrazide
SMILESCNNC(=O)c1ccc(S(=O)(=O)C(C)C)cc1
InChIInChI=1S/C11H16N2O3S/c1-8(2)17(15,16)10-6-4-9(5-7-10)11(14)13-12-3/h4-8,12H,1-3H3,(H,13,14)
InChIKeyJAPNXSBLBBKSNQ-UHFFFAOYSA-N
XLogP0.73
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.73
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
N'-[2-(3,4-dimethylphenyl)sulfanylacetyl]benzohydrazide
CID 2708508
Benzamide, p-(isopropylsulfonyl)-
CID 210035
3-(Hydrazinecarbonyl)-N,N-dimethylbenzene-1-sulfonamide
CID 3848951
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
Benzoic acid, p-(isopropylsulfonyl)-, 2-isopropylhydrazide
CID 30341
Benzamide, N-allyl-p-(isopropylsulfonyl)-
CID 210039

Frequently Asked Questions

What is the IUPAC name of N'-methyl-4-propan-2-ylsulfonylbenzohydrazide?
The IUPAC name of N'-methyl-4-propan-2-ylsulfonylbenzohydrazide (CID 30340) is N'-methyl-4-propan-2-ylsulfonylbenzohydrazide.
What is the SMILES notation for N'-methyl-4-propan-2-ylsulfonylbenzohydrazide?
The canonical SMILES for N'-methyl-4-propan-2-ylsulfonylbenzohydrazide is CNNC(=O)c1ccc(S(=O)(=O)C(C)C)cc1.
What is the InChIKey of N'-methyl-4-propan-2-ylsulfonylbenzohydrazide?
The InChIKey is JAPNXSBLBBKSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-8(2)17(15,16)10-6-4-9(5-7-10)11(14)13-12-3/h4-8,12H,1-3H3,(H,13,14).
What are the key properties of N'-methyl-4-propan-2-ylsulfonylbenzohydrazide?
N'-methyl-4-propan-2-ylsulfonylbenzohydrazide has a molecular weight of 256.33 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-4-propan-2-ylsulfonylbenzohydrazide is sourced from PubChem (CID 30340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).