4-fluoro-N-(2-hydrazinyl-2-oxoethyl)-N-(3-prop-2-enoxyphenyl)benzenesulfonamide

C17H18FN3O4S — CID 50894740

IUPAC4-fluoro-N-(2-hydrazinyl-2-oxoethyl)-N-(3-prop-2-enoxyphenyl)benzenesulfonamide
SMILESC=CCOc1cccc(N(CC(=O)NN)S(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C17H18FN3O4S/c1-2-10-25-15-5-3-4-14(11-15)21(12-17(22)20-19)26(23,24)16-8-6-13(18)7-9-16/h2-9,11H,1,10,12,19H2,(H,20,22)
InChIKeyAZINHMVMCPWZND-UHFFFAOYSA-N
MW379.41 g/mol
LogP1.58
Rot. Bonds8

About 4-fluoro-N-(2-hydrazinyl-2-oxoethyl)-N-(3-prop-2-enoxyphenyl)benzenesulfonamide

4-fluoro-N-(2-hydrazinyl-2-oxoethyl)-N-(3-prop-2-enoxyphenyl)benzenesulfonamide (PubChem CID 50894740) has the molecular formula C17H18FN3O4S and a molecular weight of 379.41 g/mol. Its IUPAC name is 4-fluoro-N-(2-hydrazinyl-2-oxoethyl)-N-(3-prop-2-enoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(2-hydrazinyl-2-oxoethyl)-N-(3-prop-2-enoxyphenyl)benzenesulfonamide
PubChem CID50894740
Molecular FormulaC17H18FN3O4S
Molecular Weight379.41 g/mol
Exact Mass379.10
IUPAC Name4-fluoro-N-(2-hydrazinyl-2-oxoethyl)-N-(3-prop-2-enoxyphenyl)benzenesulfonamide
SMILESC=CCOc1cccc(N(CC(=O)NN)S(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C17H18FN3O4S/c1-2-10-25-15-5-3-4-14(11-15)21(12-17(22)20-19)26(23,24)16-8-6-13(18)7-9-16/h2-9,11H,1,10,12,19H2,(H,20,22)
InChIKeyAZINHMVMCPWZND-UHFFFAOYSA-N
XLogP1.58
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(N-(4-fluorophenyl)sulfonyl-3-prop-2-enoxyanilino)acetamide
CID 50894708
2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-(3-prop-2-enoxyphenyl)acetamide
CID 30275896
4-fluoro-N-(2-hydrazinyl-2-oxoethyl)-N-(3-methylphenyl)benzenesulfonamide
CID 50890034
2-(N-(4-chlorophenyl)sulfonyl-3-prop-2-enoxyanilino)acetyl chloride
CID 50894360
2-[N-(benzenesulfonyl)-3-prop-2-enoxyanilino]acetic acid
CID 50894797
methyl 2-(N-(4-methylphenyl)sulfonyl-3-prop-2-enoxyanilino)acetate
CID 50894425
3-(N-(4-bromophenyl)sulfonyl-3-prop-2-enoxyanilino)propanoic acid
CID 50894770
2-(N-(3-nitrophenyl)sulfonyl-3-prop-2-enoxyanilino)acetamide
CID 50894530
2-(N-(3-nitrophenyl)sulfonyl-3-prop-2-enoxyanilino)acetic acid
CID 50894463
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-prop-2-enoxyphenyl)butanamide
CID 60574539
ethyl 2-(N-(4-fluorophenyl)sulfonyl-3-methoxyanilino)acetate
CID 50891577
4-fluoro-N-(2-fluorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 50890637

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-hydrazinyl-2-oxoethyl)-N-(3-prop-2-enoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(2-hydrazinyl-2-oxoethyl)-N-(3-prop-2-enoxyphenyl)benzenesulfonamide (CID 50894740) is 4-fluoro-N-(2-hydrazinyl-2-oxoethyl)-N-(3-prop-2-enoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(2-hydrazinyl-2-oxoethyl)-N-(3-prop-2-enoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(2-hydrazinyl-2-oxoethyl)-N-(3-prop-2-enoxyphenyl)benzenesulfonamide is C=CCOc1cccc(N(CC(=O)NN)S(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 4-fluoro-N-(2-hydrazinyl-2-oxoethyl)-N-(3-prop-2-enoxyphenyl)benzenesulfonamide?
The InChIKey is AZINHMVMCPWZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O4S/c1-2-10-25-15-5-3-4-14(11-15)21(12-17(22)20-19)26(23,24)16-8-6-13(18)7-9-16/h2-9,11H,1,10,12,19H2,(H,20,22).
What are the key properties of 4-fluoro-N-(2-hydrazinyl-2-oxoethyl)-N-(3-prop-2-enoxyphenyl)benzenesulfonamide?
4-fluoro-N-(2-hydrazinyl-2-oxoethyl)-N-(3-prop-2-enoxyphenyl)benzenesulfonamide has a molecular weight of 379.41 g/mol, XLogP of 1.58, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-hydrazinyl-2-oxoethyl)-N-(3-prop-2-enoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 50894740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).