3,4-difluoro-N-[3-oxo-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]benzenesulfonamide

C19H21F2N3O5S — CID 24539260

IUPAC3,4-difluoro-N-[3-oxo-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]benzenesulfonamide
SMILESCC(C)Oc1ccc(C(=O)NNC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C19H21F2N3O5S/c1-12(2)29-14-5-3-13(4-6-14)19(26)24-23-18(25)9-10-22-30(27,28)15-7-8-16(20)17(21)11-15/h3-8,11-12,22H,9-10H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyHWAPNOMDWKLLEQ-UHFFFAOYSA-N
MW441.46 g/mol
LogP1.88
Rot. Bonds8

About 3,4-difluoro-N-[3-oxo-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]benzenesulfonamide

3,4-difluoro-N-[3-oxo-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]benzenesulfonamide (PubChem CID 24539260) has the molecular formula C19H21F2N3O5S and a molecular weight of 441.46 g/mol. Its IUPAC name is 3,4-difluoro-N-[3-oxo-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-[3-oxo-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]benzenesulfonamide
PubChem CID24539260
Molecular FormulaC19H21F2N3O5S
Molecular Weight441.46 g/mol
Exact Mass441.12
IUPAC Name3,4-difluoro-N-[3-oxo-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]benzenesulfonamide
SMILESCC(C)Oc1ccc(C(=O)NNC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C19H21F2N3O5S/c1-12(2)29-14-5-3-13(4-6-14)19(26)24-23-18(25)9-10-22-30(27,28)15-7-8-16(20)17(21)11-15/h3-8,11-12,22H,9-10H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyHWAPNOMDWKLLEQ-UHFFFAOYSA-N
XLogP1.88
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.46
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2-(4-ethoxybenzoyl)hydrazinyl]-3-oxopropyl]-3,4-difluorobenzenesulfonamide
CID 27621342
2-bromo-N-[3-oxo-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]benzenesulfonamide
CID 24539257
N-[3-[2-(4-methoxybenzoyl)hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide
CID 2090650
3-[(3,4-difluorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 24539448
3,4-difluoro-N-[3-[2-(2-hydroxybenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 27698576
3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide
CID 47101515
N-[3-oxo-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]acetamide
CID 4789042
3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-[di(propan-2-yl)amino]ethyl]propanamide
CID 55376345
N'-butanoyl-4-propan-2-yloxybenzohydrazide
CID 17340325
N-[3-[2-[2-(2,3-dimethylphenoxy)propanoyl]hydrazinyl]-3-oxopropyl]-3,4-difluorobenzenesulfonamide
CID 46653541
3-[(3,4-difluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 47101447
4-tert-butyl-N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 9340595

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[3-oxo-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-[3-oxo-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]benzenesulfonamide (CID 24539260) is 3,4-difluoro-N-[3-oxo-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-[3-oxo-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-[3-oxo-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]benzenesulfonamide is CC(C)Oc1ccc(C(=O)NNC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)cc1.
What is the InChIKey of 3,4-difluoro-N-[3-oxo-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]benzenesulfonamide?
The InChIKey is HWAPNOMDWKLLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O5S/c1-12(2)29-14-5-3-13(4-6-14)19(26)24-23-18(25)9-10-22-30(27,28)15-7-8-16(20)17(21)11-15/h3-8,11-12,22H,9-10H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 3,4-difluoro-N-[3-oxo-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]benzenesulfonamide?
3,4-difluoro-N-[3-oxo-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]benzenesulfonamide has a molecular weight of 441.46 g/mol, XLogP of 1.88, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[3-oxo-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]benzenesulfonamide is sourced from PubChem (CID 24539260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).