N'-(4-ethoxynaphthalen-1-yl)sulfonyl-4-fluorobenzohydrazide

C19H17FN2O4S — CID 86839542

IUPACN'-(4-ethoxynaphthalen-1-yl)sulfonyl-4-fluorobenzohydrazide
SMILESCCOc1ccc(S(=O)(=O)NNC(=O)c2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C19H17FN2O4S/c1-2-26-17-11-12-18(16-6-4-3-5-15(16)17)27(24,25)22-21-19(23)13-7-9-14(20)10-8-13/h3-12,22H,2H2,1H3,(H,21,23)
InChIKeyBXJNWQSOQCLTGJ-UHFFFAOYSA-N
MW388.42 g/mol
LogP3.00
Rot. Bonds6

About N'-(4-ethoxynaphthalen-1-yl)sulfonyl-4-fluorobenzohydrazide

N'-(4-ethoxynaphthalen-1-yl)sulfonyl-4-fluorobenzohydrazide (PubChem CID 86839542) has the molecular formula C19H17FN2O4S and a molecular weight of 388.42 g/mol. Its IUPAC name is N'-(4-ethoxynaphthalen-1-yl)sulfonyl-4-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-(4-ethoxynaphthalen-1-yl)sulfonyl-4-fluorobenzohydrazide
PubChem CID86839542
Molecular FormulaC19H17FN2O4S
Molecular Weight388.42 g/mol
Exact Mass388.09
IUPAC NameN'-(4-ethoxynaphthalen-1-yl)sulfonyl-4-fluorobenzohydrazide
SMILESCCOc1ccc(S(=O)(=O)NNC(=O)c2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C19H17FN2O4S/c1-2-26-17-11-12-18(16-6-4-3-5-15(16)17)27(24,25)22-21-19(23)13-7-9-14(20)10-8-13/h3-12,22H,2H2,1H3,(H,21,23)
InChIKeyBXJNWQSOQCLTGJ-UHFFFAOYSA-N
XLogP3.00
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-difluorophenyl)-4-ethoxynaphthalene-1-sulfonamide
CID 60579353
4-ethoxy-N-ethylnaphthalene-1-sulfonamide
CID 2235792
N-tert-butyl-4-ethoxynaphthalene-1-sulfonamide
CID 66485755
ethyl 3-bromo-4-[[(4-fluorobenzoyl)amino]sulfamoyl]benzoate
CID 55573067
5-[(4-ethoxynaphthalen-1-yl)sulfonylamino]-2-fluorobenzoic acid
CID 155532593
sodium;4-ethoxynaphthalene-1-sulfonic acid;hydride
CID 173109617
4-ethoxy-N-(2-methylphenyl)naphthalene-1-sulfonamide
CID 165435904
N-cyclobutyl-4-ethoxynaphthalene-1-sulfonamide
CID 172880543
2-[4-[(4-ethoxynaphthalen-1-yl)sulfonylamino]phenyl]acetate
CID 5046040
N'-(2,4-difluorophenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide
CID 8523643
N'-(2-methoxyphenyl)sulfonylbenzohydrazide
CID 51170282
N-(4-aminobutyl)-4-ethoxynaphthalene-1-sulfonamide
CID 120583247

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxynaphthalen-1-yl)sulfonyl-4-fluorobenzohydrazide?
The IUPAC name of N'-(4-ethoxynaphthalen-1-yl)sulfonyl-4-fluorobenzohydrazide (CID 86839542) is N'-(4-ethoxynaphthalen-1-yl)sulfonyl-4-fluorobenzohydrazide.
What is the SMILES notation for N'-(4-ethoxynaphthalen-1-yl)sulfonyl-4-fluorobenzohydrazide?
The canonical SMILES for N'-(4-ethoxynaphthalen-1-yl)sulfonyl-4-fluorobenzohydrazide is CCOc1ccc(S(=O)(=O)NNC(=O)c2ccc(F)cc2)c2ccccc12.
What is the InChIKey of N'-(4-ethoxynaphthalen-1-yl)sulfonyl-4-fluorobenzohydrazide?
The InChIKey is BXJNWQSOQCLTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O4S/c1-2-26-17-11-12-18(16-6-4-3-5-15(16)17)27(24,25)22-21-19(23)13-7-9-14(20)10-8-13/h3-12,22H,2H2,1H3,(H,21,23).
What are the key properties of N'-(4-ethoxynaphthalen-1-yl)sulfonyl-4-fluorobenzohydrazide?
N'-(4-ethoxynaphthalen-1-yl)sulfonyl-4-fluorobenzohydrazide has a molecular weight of 388.42 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethoxynaphthalen-1-yl)sulfonyl-4-fluorobenzohydrazide is sourced from PubChem (CID 86839542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).