3,4-difluoro-N-[3-[2-(2-hydroxybenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide

C16H15F2N3O5S — CID 27698576

IUPAC3,4-difluoro-N-[3-[2-(2-hydroxybenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NNC(=O)c1ccccc1O
InChIInChI=1S/C16H15F2N3O5S/c17-12-6-5-10(9-13(12)18)27(25,26)19-8-7-15(23)20-21-16(24)11-3-1-2-4-14(11)22/h1-6,9,19,22H,7-8H2,(H,20,23)(H,21,24)
InChIKeyKRJMEDYXGBYVGZ-UHFFFAOYSA-N
MW399.38 g/mol
LogP0.80
Rot. Bonds6

About 3,4-difluoro-N-[3-[2-(2-hydroxybenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide

3,4-difluoro-N-[3-[2-(2-hydroxybenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide (PubChem CID 27698576) has the molecular formula C16H15F2N3O5S and a molecular weight of 399.38 g/mol. Its IUPAC name is 3,4-difluoro-N-[3-[2-(2-hydroxybenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-[3-[2-(2-hydroxybenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide
PubChem CID27698576
Molecular FormulaC16H15F2N3O5S
Molecular Weight399.38 g/mol
Exact Mass399.07
IUPAC Name3,4-difluoro-N-[3-[2-(2-hydroxybenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NNC(=O)c1ccccc1O
InChIInChI=1S/C16H15F2N3O5S/c17-12-6-5-10(9-13(12)18)27(25,26)19-8-7-15(23)20-21-16(24)11-3-1-2-4-14(11)22/h1-6,9,19,22H,7-8H2,(H,20,23)(H,21,24)
InChIKeyKRJMEDYXGBYVGZ-UHFFFAOYSA-N
XLogP0.80
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.38
LogP ≤ 50.80
H-Bond Donors ≤ 54
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-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide
CID 47101515
3,4-difluoro-N-[3-[4-(2-hydroxybenzoyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 55851497
N-[3-[2-(4-ethoxybenzoyl)hydrazinyl]-3-oxopropyl]-3,4-difluorobenzenesulfonamide
CID 27621342
3,4-difluoro-N-[3-oxo-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]benzenesulfonamide
CID 24539260
3-[(3,4-difluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 47101447
3-[(3,4-difluorophenyl)sulfonylamino]-N-quinolin-2-ylpropanamide
CID 55376371
N-[3-[2-(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-3-oxopropyl]-3,4-difluorobenzenesulfonamide
CID 27564458
3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 24547426
3-[(3,4-difluorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 24539448
3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-hydroxy-4-methylphenyl)propanamide
CID 24540770
3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-phenylsulfanylethyl)propanamide
CID 24549470
3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-phenoxyethyl)propanamide
CID 32934295

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[3-[2-(2-hydroxybenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-[3-[2-(2-hydroxybenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide (CID 27698576) is 3,4-difluoro-N-[3-[2-(2-hydroxybenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-[3-[2-(2-hydroxybenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-[3-[2-(2-hydroxybenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide is O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NNC(=O)c1ccccc1O.
What is the InChIKey of 3,4-difluoro-N-[3-[2-(2-hydroxybenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide?
The InChIKey is KRJMEDYXGBYVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O5S/c17-12-6-5-10(9-13(12)18)27(25,26)19-8-7-15(23)20-21-16(24)11-3-1-2-4-14(11)22/h1-6,9,19,22H,7-8H2,(H,20,23)(H,21,24).
What are the key properties of 3,4-difluoro-N-[3-[2-(2-hydroxybenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide?
3,4-difluoro-N-[3-[2-(2-hydroxybenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide has a molecular weight of 399.38 g/mol, XLogP of 0.80, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[3-[2-(2-hydroxybenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide is sourced from PubChem (CID 27698576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).