3-butoxy-N'-(2-fluorophenyl)sulfonylbenzohydrazide

C17H19FN2O4S — CID 135298630

IUPAC3-butoxy-N'-(2-fluorophenyl)sulfonylbenzohydrazide
SMILESCCCCOc1cccc(C(=O)NNS(=O)(=O)c2ccccc2F)c1
InChIInChI=1S/C17H19FN2O4S/c1-2-3-11-24-14-8-6-7-13(12-14)17(21)19-20-25(22,23)16-10-5-4-9-15(16)18/h4-10,12,20H,2-3,11H2,1H3,(H,19,21)
InChIKeyQGOBJVCKVWHRRO-UHFFFAOYSA-N
MW366.41 g/mol
LogP2.63
Rot. Bonds8

About 3-butoxy-N'-(2-fluorophenyl)sulfonylbenzohydrazide

3-butoxy-N'-(2-fluorophenyl)sulfonylbenzohydrazide (PubChem CID 135298630) has the molecular formula C17H19FN2O4S and a molecular weight of 366.41 g/mol. Its IUPAC name is 3-butoxy-N'-(2-fluorophenyl)sulfonylbenzohydrazide.

Molecular Properties

Compound Name3-butoxy-N'-(2-fluorophenyl)sulfonylbenzohydrazide
PubChem CID135298630
Molecular FormulaC17H19FN2O4S
Molecular Weight366.41 g/mol
Exact Mass366.10
IUPAC Name3-butoxy-N'-(2-fluorophenyl)sulfonylbenzohydrazide
SMILESCCCCOc1cccc(C(=O)NNS(=O)(=O)c2ccccc2F)c1
InChIInChI=1S/C17H19FN2O4S/c1-2-3-11-24-14-8-6-7-13(12-14)17(21)19-20-25(22,23)16-10-5-4-9-15(16)18/h4-10,12,20H,2-3,11H2,1H3,(H,19,21)
InChIKeyQGOBJVCKVWHRRO-UHFFFAOYSA-N
XLogP2.63
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-bromo-2-fluorophenyl)sulfonyl-3-ethoxybenzohydrazide
CID 155558104
N'-(2-fluorophenyl)sulfonyl-4-(3-methylbutoxy)benzohydrazide
CID 8617549
3-bromo-N'-(2-fluorophenyl)sulfonylbenzohydrazide
CID 155532167
N'-benzoyl-3-propoxybenzohydrazide
CID 4960188
3-butoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958264
N-(4-butoxyphenyl)-3-(2-phenoxyethoxy)benzamide
CID 4955059
N'-(2-fluorophenyl)sulfonyl-3-methoxy-5-pyridin-2-ylbenzohydrazide
CID 135298631
N'-(2-fluorophenyl)sulfonyl-3-methoxy-5-propan-2-yloxybenzohydrazide
CID 135298667
N'-benzoyl-3-(2-phenoxyethoxy)benzohydrazide
CID 4955128
N'-(2-fluorophenyl)sulfonyl-3-thiophen-3-ylbenzohydrazide
CID 135298604
3-butoxy-N-(4-heptoxyphenyl)benzamide
CID 4956588
3-[(3-butoxybenzoyl)amino]-N-phenylbenzamide
CID 54781128

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-N'-(2-fluorophenyl)sulfonylbenzohydrazide?
The IUPAC name of 3-butoxy-N'-(2-fluorophenyl)sulfonylbenzohydrazide (CID 135298630) is 3-butoxy-N'-(2-fluorophenyl)sulfonylbenzohydrazide.
What is the SMILES notation for 3-butoxy-N'-(2-fluorophenyl)sulfonylbenzohydrazide?
The canonical SMILES for 3-butoxy-N'-(2-fluorophenyl)sulfonylbenzohydrazide is CCCCOc1cccc(C(=O)NNS(=O)(=O)c2ccccc2F)c1.
What is the InChIKey of 3-butoxy-N'-(2-fluorophenyl)sulfonylbenzohydrazide?
The InChIKey is QGOBJVCKVWHRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4S/c1-2-3-11-24-14-8-6-7-13(12-14)17(21)19-20-25(22,23)16-10-5-4-9-15(16)18/h4-10,12,20H,2-3,11H2,1H3,(H,19,21).
What are the key properties of 3-butoxy-N'-(2-fluorophenyl)sulfonylbenzohydrazide?
3-butoxy-N'-(2-fluorophenyl)sulfonylbenzohydrazide has a molecular weight of 366.41 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-N'-(2-fluorophenyl)sulfonylbenzohydrazide is sourced from PubChem (CID 135298630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).