N'-(2-fluorophenyl)sulfonyl-3-prop-2-enoxybenzohydrazide

C16H15FN2O4S — CID 135298599

IUPACN'-(2-fluorophenyl)sulfonyl-3-prop-2-enoxybenzohydrazide
SMILESC=CCOc1cccc(C(=O)NNS(=O)(=O)c2ccccc2F)c1
InChIInChI=1S/C16H15FN2O4S/c1-2-10-23-13-7-5-6-12(11-13)16(20)18-19-24(21,22)15-9-4-3-8-14(15)17/h2-9,11,19H,1,10H2,(H,18,20)
InChIKeyIIQYUKXHRIQSTO-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.01
Rot. Bonds7

About N'-(2-fluorophenyl)sulfonyl-3-prop-2-enoxybenzohydrazide

N'-(2-fluorophenyl)sulfonyl-3-prop-2-enoxybenzohydrazide (PubChem CID 135298599) has the molecular formula C16H15FN2O4S and a molecular weight of 350.37 g/mol. Its IUPAC name is N'-(2-fluorophenyl)sulfonyl-3-prop-2-enoxybenzohydrazide.

Molecular Properties

Compound NameN'-(2-fluorophenyl)sulfonyl-3-prop-2-enoxybenzohydrazide
PubChem CID135298599
Molecular FormulaC16H15FN2O4S
Molecular Weight350.37 g/mol
Exact Mass350.07
IUPAC NameN'-(2-fluorophenyl)sulfonyl-3-prop-2-enoxybenzohydrazide
SMILESC=CCOc1cccc(C(=O)NNS(=O)(=O)c2ccccc2F)c1
InChIInChI=1S/C16H15FN2O4S/c1-2-10-23-13-7-5-6-12(11-13)16(20)18-19-24(21,22)15-9-4-3-8-14(15)17/h2-9,11,19H,1,10H2,(H,18,20)
InChIKeyIIQYUKXHRIQSTO-UHFFFAOYSA-N
XLogP2.01
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-ethoxy-2-fluoro-3-methyl-N'-(phenylsulfonyl)benzohydrazide
CID 124132130
2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-[(prop-2-en-1-yl)oxy]benzohydrazide
CID 124132195
2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-[(propan-2-yl)oxy]benzohydrazide
CID 135298580
2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-propoxybenzohydrazide
CID 135298625
5-ethoxy-2-fluoro-3-methyl-N'-[(naphthalen-2-yl)sulfonyl]benzohydrazide
CID 146014942
N'-(3-fluorobenzoyl)-3-methoxybenzohydrazide
CID 790093
N'-(4-fluorophenyl)sulfonyl-3-hydroxybenzohydrazide
CID 809438
N'-(4-fluorophenyl)sulfonyl-2-methoxybenzohydrazide
CID 809441
N-(4-ethoxybenzenesulfonyl)benzamide
CID 972596
4-fluoro-N'-[2-(2-fluorophenoxy)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide
CID 2545591
N'-phenylsulfonyl-4-methoxybenzohydrazide
CID 795528
N'-(benzenesulfonyl)-3-propoxybenzohydrazide
CID 124132112

Frequently Asked Questions

What is the IUPAC name of N'-(2-fluorophenyl)sulfonyl-3-prop-2-enoxybenzohydrazide?
The IUPAC name of N'-(2-fluorophenyl)sulfonyl-3-prop-2-enoxybenzohydrazide (CID 135298599) is N'-(2-fluorophenyl)sulfonyl-3-prop-2-enoxybenzohydrazide.
What is the SMILES notation for N'-(2-fluorophenyl)sulfonyl-3-prop-2-enoxybenzohydrazide?
The canonical SMILES for N'-(2-fluorophenyl)sulfonyl-3-prop-2-enoxybenzohydrazide is C=CCOc1cccc(C(=O)NNS(=O)(=O)c2ccccc2F)c1.
What is the InChIKey of N'-(2-fluorophenyl)sulfonyl-3-prop-2-enoxybenzohydrazide?
The InChIKey is IIQYUKXHRIQSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O4S/c1-2-10-23-13-7-5-6-12(11-13)16(20)18-19-24(21,22)15-9-4-3-8-14(15)17/h2-9,11,19H,1,10H2,(H,18,20).
What are the key properties of N'-(2-fluorophenyl)sulfonyl-3-prop-2-enoxybenzohydrazide?
N'-(2-fluorophenyl)sulfonyl-3-prop-2-enoxybenzohydrazide has a molecular weight of 350.37 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluorophenyl)sulfonyl-3-prop-2-enoxybenzohydrazide is sourced from PubChem (CID 135298599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).