4-tert-butyl-N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide

C20H24FN3O4S — CID 9340595

IUPAC4-tert-butyl-N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)NNC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H24FN3O4S/c1-20(2,3)15-6-10-17(11-7-15)29(27,28)22-13-12-18(25)23-24-19(26)14-4-8-16(21)9-5-14/h4-11,22H,12-13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyZHBSUUBFOCVELV-UHFFFAOYSA-N
MW421.49 g/mol
LogP2.25
Rot. Bonds6

About 4-tert-butyl-N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide

4-tert-butyl-N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide (PubChem CID 9340595) has the molecular formula C20H24FN3O4S and a molecular weight of 421.49 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide
PubChem CID9340595
Molecular FormulaC20H24FN3O4S
Molecular Weight421.49 g/mol
Exact Mass421.15
IUPAC Name4-tert-butyl-N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)NNC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H24FN3O4S/c1-20(2,3)15-6-10-17(11-7-15)29(27,28)22-13-12-18(25)23-24-19(26)14-4-8-16(21)9-5-14/h4-11,22H,12-13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyZHBSUUBFOCVELV-UHFFFAOYSA-N
XLogP2.25
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.49
LogP ≤ 52.25
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

3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)propanamide
CID 9211693
4-fluoro-N-[3-[2-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 24636444
methyl 4-[3-[(4-tert-butylphenyl)sulfonylamino]propanoylamino]benzoate
CID 9413514
1-N',6-N'-bis(4-tert-butylbenzoyl)hexanedihydrazide
CID 4209045
N-[3-[(4-tert-butylphenyl)sulfonylamino]propyl]-4-fluoro-N-(4-fluorophenyl)benzamide
CID 42726216
N-[3-[2-(4-ethoxybenzoyl)hydrazinyl]-3-oxopropyl]-3,4-difluorobenzenesulfonamide
CID 27621342
3-[(4-tert-butylphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide
CID 24536886
3,4-difluoro-N-[3-oxo-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]benzenesulfonamide
CID 24539260
N-[3-[2-(4-methoxybenzoyl)hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide
CID 2090650
4-fluoro-N-[4-[2-(2-methylbenzoyl)hydrazinyl]-4-oxobutyl]benzenesulfonamide
CID 9220784
4-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]benzamide
CID 9441750
3-[(4-fluorophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide
CID 9452229

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide (CID 9340595) is 4-tert-butyl-N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)NNC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide?
The InChIKey is ZHBSUUBFOCVELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O4S/c1-20(2,3)15-6-10-17(11-7-15)29(27,28)22-13-12-18(25)23-24-19(26)14-4-8-16(21)9-5-14/h4-11,22H,12-13H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 4-tert-butyl-N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide?
4-tert-butyl-N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide has a molecular weight of 421.49 g/mol, XLogP of 2.25, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide is sourced from PubChem (CID 9340595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).