N-[2-[2-(4-butylbenzoyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide

C19H23N3O4S — CID 9089374

IUPACN-[2-[2-(4-butylbenzoyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide
SMILESCCCCc1ccc(C(=O)NNC(=O)CNS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C19H23N3O4S/c1-2-3-7-15-10-12-16(13-11-15)19(24)22-21-18(23)14-20-27(25,26)17-8-5-4-6-9-17/h4-6,8-13,20H,2-3,7,14H2,1H3,(H,21,23)(H,22,24)
InChIKeyVJWIPGRRXNFVBO-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.77
Rot. Bonds8

About N-[2-[2-(4-butylbenzoyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide

N-[2-[2-(4-butylbenzoyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide (PubChem CID 9089374) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[2-[2-(4-butylbenzoyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(4-butylbenzoyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide
PubChem CID9089374
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC NameN-[2-[2-(4-butylbenzoyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide
SMILESCCCCc1ccc(C(=O)NNC(=O)CNS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C19H23N3O4S/c1-2-3-7-15-10-12-16(13-11-15)19(24)22-21-18(23)14-20-27(25,26)17-8-5-4-6-9-17/h4-6,8-13,20H,2-3,7,14H2,1H3,(H,21,23)(H,22,24)
InChIKeyVJWIPGRRXNFVBO-UHFFFAOYSA-N
XLogP1.77
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.77
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

4-butyl-N'-(4-phenylbenzoyl)benzohydrazide
CID 4296967
4-(benzenesulfonamido)-N-(4-butylphenyl)benzamide
CID 2231369
N-[4-(benzenesulfonamidocarbamoyl)phenyl]-4-pentylbenzenesulfonamide
CID 10289140
4-ethoxy-N-[2-[2-(4-ethoxybenzoyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide
CID 9492767
N'-[2-(4-propylphenyl)acetyl]benzohydrazide
CID 134106335
N-[[4-(benzamidocarbamoyl)phenyl]methyl]butane-1-sulfonamide
CID 70166510
4-(butylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 109058705
4-[[(4-hexylphenyl)sulfonylamino]methyl]benzoic acid
CID 84556982
N'-dodecanoyl-4-heptylbenzohydrazide
CID 3103832
N-[6-(2-benzoylhydrazinyl)-6-oxohexyl]benzenesulfonamide
CID 10810370
N-[1-(4-butylbenzoyl)piperidin-4-yl]benzenesulfonamide
CID 41470537
N'-(4-butylbenzoyl)-1H-pyrrole-2-carbohydrazide
CID 8968206

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-butylbenzoyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide?
The IUPAC name of N-[2-[2-(4-butylbenzoyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide (CID 9089374) is N-[2-[2-(4-butylbenzoyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[2-(4-butylbenzoyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for N-[2-[2-(4-butylbenzoyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide is CCCCc1ccc(C(=O)NNC(=O)CNS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[2-[2-(4-butylbenzoyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide?
The InChIKey is VJWIPGRRXNFVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-2-3-7-15-10-12-16(13-11-15)19(24)22-21-18(23)14-20-27(25,26)17-8-5-4-6-9-17/h4-6,8-13,20H,2-3,7,14H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-[2-(4-butylbenzoyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide?
N-[2-[2-(4-butylbenzoyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide has a molecular weight of 389.48 g/mol, XLogP of 1.77, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-butylbenzoyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 9089374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).