2-hydroxy-N'-[4-(2-methylpropyl)phenyl]sulfonylbenzohydrazide

C17H20N2O4S — CID 39324521

IUPAC2-hydroxy-N'-[4-(2-methylpropyl)phenyl]sulfonylbenzohydrazide
SMILESCC(C)Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2O)cc1
InChIInChI=1S/C17H20N2O4S/c1-12(2)11-13-7-9-14(10-8-13)24(22,23)19-18-17(21)15-5-3-4-6-16(15)20/h3-10,12,19-20H,11H2,1-2H3,(H,18,21)
InChIKeyLNRJFYQLBIYQJP-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.21
Rot. Bonds6

About 2-hydroxy-N'-[4-(2-methylpropyl)phenyl]sulfonylbenzohydrazide

2-hydroxy-N'-[4-(2-methylpropyl)phenyl]sulfonylbenzohydrazide (PubChem CID 39324521) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 2-hydroxy-N'-[4-(2-methylpropyl)phenyl]sulfonylbenzohydrazide.

Molecular Properties

Compound Name2-hydroxy-N'-[4-(2-methylpropyl)phenyl]sulfonylbenzohydrazide
PubChem CID39324521
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name2-hydroxy-N'-[4-(2-methylpropyl)phenyl]sulfonylbenzohydrazide
SMILESCC(C)Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2O)cc1
InChIInChI=1S/C17H20N2O4S/c1-12(2)11-13-7-9-14(10-8-13)24(22,23)19-18-17(21)15-5-3-4-6-16(15)20/h3-10,12,19-20H,11H2,1-2H3,(H,18,21)
InChIKeyLNRJFYQLBIYQJP-UHFFFAOYSA-N
XLogP2.21
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N'-(4-propylphenyl)sulfonylbenzohydrazide
CID 8511154
2-hydroxy-N'-(4-methylphenyl)sulfonylbenzohydrazide
CID 766765
N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 19684296
4-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
CID 19681167
2-methyl-N'-[4-(2-methylpropyl)benzoyl]benzohydrazide
CID 8623833
3-methyl-2-[[4-(2-methylpropyl)phenyl]sulfonylamino]butanoic acid
CID 43169463
4-(2-methylpropyl)-N-(1-phenylethyl)benzenesulfonamide
CID 19680813
4-methyl-N-[2-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]benzenesulfonamide
CID 4711775
N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2-hydroxybenzohydrazide
CID 8511209
N-(2-chlorophenyl)-4-(2-methylpropyl)benzenesulfonamide
CID 22773415
4-(2-methylpropyl)-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 17388107
N'-(4-chlorophenyl)sulfonyl-2,4-dihydroxybenzohydrazide
CID 808082

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N'-[4-(2-methylpropyl)phenyl]sulfonylbenzohydrazide?
The IUPAC name of 2-hydroxy-N'-[4-(2-methylpropyl)phenyl]sulfonylbenzohydrazide (CID 39324521) is 2-hydroxy-N'-[4-(2-methylpropyl)phenyl]sulfonylbenzohydrazide.
What is the SMILES notation for 2-hydroxy-N'-[4-(2-methylpropyl)phenyl]sulfonylbenzohydrazide?
The canonical SMILES for 2-hydroxy-N'-[4-(2-methylpropyl)phenyl]sulfonylbenzohydrazide is CC(C)Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2O)cc1.
What is the InChIKey of 2-hydroxy-N'-[4-(2-methylpropyl)phenyl]sulfonylbenzohydrazide?
The InChIKey is LNRJFYQLBIYQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-12(2)11-13-7-9-14(10-8-13)24(22,23)19-18-17(21)15-5-3-4-6-16(15)20/h3-10,12,19-20H,11H2,1-2H3,(H,18,21).
What are the key properties of 2-hydroxy-N'-[4-(2-methylpropyl)phenyl]sulfonylbenzohydrazide?
2-hydroxy-N'-[4-(2-methylpropyl)phenyl]sulfonylbenzohydrazide has a molecular weight of 348.42 g/mol, XLogP of 2.21, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N'-[4-(2-methylpropyl)phenyl]sulfonylbenzohydrazide is sourced from PubChem (CID 39324521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).