N-[3-[2-(4-ethoxybenzoyl)hydrazinyl]-3-oxopropyl]-3,4-difluorobenzenesulfonamide

C18H19F2N3O5S — CID 27621342

IUPACN-[3-[2-(4-ethoxybenzoyl)hydrazinyl]-3-oxopropyl]-3,4-difluorobenzenesulfonamide
SMILESCCOc1ccc(C(=O)NNC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C18H19F2N3O5S/c1-2-28-13-5-3-12(4-6-13)18(25)23-22-17(24)9-10-21-29(26,27)14-7-8-15(19)16(20)11-14/h3-8,11,21H,2,9-10H2,1H3,(H,22,24)(H,23,25)
InChIKeyMIVOHAIKDSDAQU-UHFFFAOYSA-N
MW427.43 g/mol
LogP1.49
Rot. Bonds8

About N-[3-[2-(4-ethoxybenzoyl)hydrazinyl]-3-oxopropyl]-3,4-difluorobenzenesulfonamide

N-[3-[2-(4-ethoxybenzoyl)hydrazinyl]-3-oxopropyl]-3,4-difluorobenzenesulfonamide (PubChem CID 27621342) has the molecular formula C18H19F2N3O5S and a molecular weight of 427.43 g/mol. Its IUPAC name is N-[3-[2-(4-ethoxybenzoyl)hydrazinyl]-3-oxopropyl]-3,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[2-(4-ethoxybenzoyl)hydrazinyl]-3-oxopropyl]-3,4-difluorobenzenesulfonamide
PubChem CID27621342
Molecular FormulaC18H19F2N3O5S
Molecular Weight427.43 g/mol
Exact Mass427.10
IUPAC NameN-[3-[2-(4-ethoxybenzoyl)hydrazinyl]-3-oxopropyl]-3,4-difluorobenzenesulfonamide
SMILESCCOc1ccc(C(=O)NNC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C18H19F2N3O5S/c1-2-28-13-5-3-12(4-6-13)18(25)23-22-17(24)9-10-21-29(26,27)14-7-8-15(19)16(20)11-14/h3-8,11,21H,2,9-10H2,1H3,(H,22,24)(H,23,25)
InChIKeyMIVOHAIKDSDAQU-UHFFFAOYSA-N
XLogP1.49
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.43
LogP ≤ 51.49
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

3,4-difluoro-N-[3-oxo-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]benzenesulfonamide
CID 24539260
N-(3,4-difluorophenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 26694786
4-ethoxy-N-[2-[2-(4-ethoxybenzoyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide
CID 9492767
N-[3-[2-(4-methoxybenzoyl)hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide
CID 2090650
3,4-difluoro-N-[3-[2-(2-hydroxybenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 27698576
3-[(3,4-difluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 47101447
3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide
CID 47101515
3,4-difluoro-N-[4-[[[2-(4-fluorophenoxy)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide
CID 25335648
3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-fluoro-5-methylphenyl)propanamide
CID 26717747
4-tert-butyl-N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 9340595
4-chloro-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]benzamide
CID 31829485
N-[3-[2-[4-(4-chloro-2-methylphenoxy)butanoyl]hydrazinyl]-3-oxopropyl]-4-ethoxybenzenesulfonamide
CID 55348657

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-ethoxybenzoyl)hydrazinyl]-3-oxopropyl]-3,4-difluorobenzenesulfonamide?
The IUPAC name of N-[3-[2-(4-ethoxybenzoyl)hydrazinyl]-3-oxopropyl]-3,4-difluorobenzenesulfonamide (CID 27621342) is N-[3-[2-(4-ethoxybenzoyl)hydrazinyl]-3-oxopropyl]-3,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[3-[2-(4-ethoxybenzoyl)hydrazinyl]-3-oxopropyl]-3,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[3-[2-(4-ethoxybenzoyl)hydrazinyl]-3-oxopropyl]-3,4-difluorobenzenesulfonamide is CCOc1ccc(C(=O)NNC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)cc1.
What is the InChIKey of N-[3-[2-(4-ethoxybenzoyl)hydrazinyl]-3-oxopropyl]-3,4-difluorobenzenesulfonamide?
The InChIKey is MIVOHAIKDSDAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O5S/c1-2-28-13-5-3-12(4-6-13)18(25)23-22-17(24)9-10-21-29(26,27)14-7-8-15(19)16(20)11-14/h3-8,11,21H,2,9-10H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[3-[2-(4-ethoxybenzoyl)hydrazinyl]-3-oxopropyl]-3,4-difluorobenzenesulfonamide?
N-[3-[2-(4-ethoxybenzoyl)hydrazinyl]-3-oxopropyl]-3,4-difluorobenzenesulfonamide has a molecular weight of 427.43 g/mol, XLogP of 1.49, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-ethoxybenzoyl)hydrazinyl]-3-oxopropyl]-3,4-difluorobenzenesulfonamide is sourced from PubChem (CID 27621342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).