2-hydroxy-N'-(4-propylphenyl)sulfonylbenzohydrazide

C16H18N2O4S — CID 8511154

IUPAC2-hydroxy-N'-(4-propylphenyl)sulfonylbenzohydrazide
SMILESCCCc1ccc(S(=O)(=O)NNC(=O)c2ccccc2O)cc1
InChIInChI=1S/C16H18N2O4S/c1-2-5-12-8-10-13(11-9-12)23(21,22)18-17-16(20)14-6-3-4-7-15(14)19/h3-4,6-11,18-19H,2,5H2,1H3,(H,17,20)
InChIKeyUXNFFHVTWPPWGO-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.97
Rot. Bonds6

About 2-hydroxy-N'-(4-propylphenyl)sulfonylbenzohydrazide

2-hydroxy-N'-(4-propylphenyl)sulfonylbenzohydrazide (PubChem CID 8511154) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-hydroxy-N'-(4-propylphenyl)sulfonylbenzohydrazide.

Molecular Properties

Compound Name2-hydroxy-N'-(4-propylphenyl)sulfonylbenzohydrazide
PubChem CID8511154
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name2-hydroxy-N'-(4-propylphenyl)sulfonylbenzohydrazide
SMILESCCCc1ccc(S(=O)(=O)NNC(=O)c2ccccc2O)cc1
InChIInChI=1S/C16H18N2O4S/c1-2-5-12-8-10-13(11-9-12)23(21,22)18-17-16(20)14-6-3-4-7-15(14)19/h3-4,6-11,18-19H,2,5H2,1H3,(H,17,20)
InChIKeyUXNFFHVTWPPWGO-UHFFFAOYSA-N
XLogP1.97
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.97
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-(2-methylpropyl)phenyl]sulfonylbenzohydrazide
CID 39324521
2-hydroxy-N'-(4-methylphenyl)sulfonylbenzohydrazide
CID 766765
2-(4-chlorophenoxy)-N'-(4-propylphenyl)sulfonylacetohydrazide
CID 8615109
N'-(4-propylphenyl)sulfonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide
CID 8500358
N-[4-(benzenesulfonamidocarbamoyl)phenyl]-4-pentylbenzenesulfonamide
CID 10289140
N-iodo-4-propylbenzenesulfonamide
CID 143564822
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
5-ethyl-2-hydroxy-N'-(2-hydroxybenzoyl)benzohydrazide
CID 60611924
N-(4-ethoxyphenyl)-4-[[(2-hydroxybenzoyl)amino]carbamoyl]benzenesulfonamide
CID 24981829
2-(2,6-diethylanilino)-N'-(4-methylphenyl)sulfonylbenzohydrazide
CID 3510733
2-hydroxy-N'-[3-(4-methylphenyl)propanoyl]benzohydrazide
CID 31950720

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N'-(4-propylphenyl)sulfonylbenzohydrazide?
The IUPAC name of 2-hydroxy-N'-(4-propylphenyl)sulfonylbenzohydrazide (CID 8511154) is 2-hydroxy-N'-(4-propylphenyl)sulfonylbenzohydrazide.
What is the SMILES notation for 2-hydroxy-N'-(4-propylphenyl)sulfonylbenzohydrazide?
The canonical SMILES for 2-hydroxy-N'-(4-propylphenyl)sulfonylbenzohydrazide is CCCc1ccc(S(=O)(=O)NNC(=O)c2ccccc2O)cc1.
What is the InChIKey of 2-hydroxy-N'-(4-propylphenyl)sulfonylbenzohydrazide?
The InChIKey is UXNFFHVTWPPWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-2-5-12-8-10-13(11-9-12)23(21,22)18-17-16(20)14-6-3-4-7-15(14)19/h3-4,6-11,18-19H,2,5H2,1H3,(H,17,20).
What are the key properties of 2-hydroxy-N'-(4-propylphenyl)sulfonylbenzohydrazide?
2-hydroxy-N'-(4-propylphenyl)sulfonylbenzohydrazide has a molecular weight of 334.40 g/mol, XLogP of 1.97, 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-propylphenyl)sulfonylbenzohydrazide is sourced from PubChem (CID 8511154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).