N-[4-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-4-oxobutyl]-4-fluoro-N-methylbenzenesulfonamide

C18H19ClFN3O5S — CID 22109787

IUPACN-[4-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-4-oxobutyl]-4-fluoro-N-methylbenzenesulfonamide
SMILESCN(CCCC(=O)NNC(=O)c1cc(Cl)ccc1O)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H19ClFN3O5S/c1-23(29(27,28)14-7-5-13(20)6-8-14)10-2-3-17(25)21-22-18(26)15-11-12(19)4-9-16(15)24/h4-9,11,24H,2-3,10H2,1H3,(H,21,25)(H,22,26)
InChIKeyJQXQYJMWJVYCAM-UHFFFAOYSA-N
MW443.88 g/mol
LogP2.05
Rot. Bonds7

About N-[4-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-4-oxobutyl]-4-fluoro-N-methylbenzenesulfonamide

N-[4-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-4-oxobutyl]-4-fluoro-N-methylbenzenesulfonamide (PubChem CID 22109787) has the molecular formula C18H19ClFN3O5S and a molecular weight of 443.88 g/mol. Its IUPAC name is N-[4-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-4-oxobutyl]-4-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-4-oxobutyl]-4-fluoro-N-methylbenzenesulfonamide
PubChem CID22109787
Molecular FormulaC18H19ClFN3O5S
Molecular Weight443.88 g/mol
Exact Mass443.07
IUPAC NameN-[4-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-4-oxobutyl]-4-fluoro-N-methylbenzenesulfonamide
SMILESCN(CCCC(=O)NNC(=O)c1cc(Cl)ccc1O)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H19ClFN3O5S/c1-23(29(27,28)14-7-5-13(20)6-8-14)10-2-3-17(25)21-22-18(26)15-11-12(19)4-9-16(15)24/h4-9,11,24H,2-3,10H2,1H3,(H,21,25)(H,22,26)
InChIKeyJQXQYJMWJVYCAM-UHFFFAOYSA-N
XLogP2.05
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.88
LogP ≤ 52.05
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

4-bromo-N-[2-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide
CID 55791699
N-[(4-chlorophenyl)methyl]-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 27660395
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-hydroxy-5-methylphenyl)butanamide
CID 60562349
N-(2-chloro-4-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 30854882
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-hydroxyphenyl)butanamide
CID 78791940
N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-fluoro-N-methylbenzenesulfonamide
CID 9339527
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-[(4-fluorophenyl)sulfonyl-methylamino]butanoate
CID 30800459
N-(3-aminopropyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide;hydrochloride
CID 119405561
N-[2-[2-(2-hydroxy-5-methylbenzoyl)hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 27681289
N-(5-fluoro-2-methylphenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 30855362
N-(3-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 30845467
N-[1-(4-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 46806846

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-4-oxobutyl]-4-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-[4-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-4-oxobutyl]-4-fluoro-N-methylbenzenesulfonamide (CID 22109787) is N-[4-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-4-oxobutyl]-4-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-4-oxobutyl]-4-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-[4-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-4-oxobutyl]-4-fluoro-N-methylbenzenesulfonamide is CN(CCCC(=O)NNC(=O)c1cc(Cl)ccc1O)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[4-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-4-oxobutyl]-4-fluoro-N-methylbenzenesulfonamide?
The InChIKey is JQXQYJMWJVYCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN3O5S/c1-23(29(27,28)14-7-5-13(20)6-8-14)10-2-3-17(25)21-22-18(26)15-11-12(19)4-9-16(15)24/h4-9,11,24H,2-3,10H2,1H3,(H,21,25)(H,22,26).
What are the key properties of N-[4-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-4-oxobutyl]-4-fluoro-N-methylbenzenesulfonamide?
N-[4-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-4-oxobutyl]-4-fluoro-N-methylbenzenesulfonamide has a molecular weight of 443.88 g/mol, XLogP of 2.05, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-4-oxobutyl]-4-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 22109787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).