N'-(2-fluorophenyl)sulfonyl-4-(3-methylbutoxy)benzohydrazide

C18H21FN2O4S — CID 8617549

IUPACN'-(2-fluorophenyl)sulfonyl-4-(3-methylbutoxy)benzohydrazide
SMILESCC(C)CCOc1ccc(C(=O)NNS(=O)(=O)c2ccccc2F)cc1
InChIInChI=1S/C18H21FN2O4S/c1-13(2)11-12-25-15-9-7-14(8-10-15)18(22)20-21-26(23,24)17-6-4-3-5-16(17)19/h3-10,13,21H,11-12H2,1-2H3,(H,20,22)
InChIKeyYXUFPVOSOKLZGG-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.87
Rot. Bonds8

About N'-(2-fluorophenyl)sulfonyl-4-(3-methylbutoxy)benzohydrazide

N'-(2-fluorophenyl)sulfonyl-4-(3-methylbutoxy)benzohydrazide (PubChem CID 8617549) has the molecular formula C18H21FN2O4S and a molecular weight of 380.44 g/mol. Its IUPAC name is N'-(2-fluorophenyl)sulfonyl-4-(3-methylbutoxy)benzohydrazide.

Molecular Properties

Compound NameN'-(2-fluorophenyl)sulfonyl-4-(3-methylbutoxy)benzohydrazide
PubChem CID8617549
Molecular FormulaC18H21FN2O4S
Molecular Weight380.44 g/mol
Exact Mass380.12
IUPAC NameN'-(2-fluorophenyl)sulfonyl-4-(3-methylbutoxy)benzohydrazide
SMILESCC(C)CCOc1ccc(C(=O)NNS(=O)(=O)c2ccccc2F)cc1
InChIInChI=1S/C18H21FN2O4S/c1-13(2)11-12-25-15-9-7-14(8-10-15)18(22)20-21-26(23,24)17-6-4-3-5-16(17)19/h3-10,13,21H,11-12H2,1-2H3,(H,20,22)
InChIKeyYXUFPVOSOKLZGG-UHFFFAOYSA-N
XLogP2.87
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.87
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

3-butoxy-N'-(2-fluorophenyl)sulfonylbenzohydrazide
CID 135298630
N'-(4-fluorobenzoyl)-4-(3-methylbutoxy)benzohydrazide
CID 4927856
4-(3-methylbutoxy)-N'-[(E)-2-phenylethenyl]sulfonylbenzohydrazide
CID 8617546
4-butoxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide
CID 4936465
2-hydroxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide
CID 27693938
N'-[4-(3-methylbutoxy)benzoyl]-4-(2-phenylethoxy)benzohydrazide
CID 4956685
N'-(4-chloro-2-fluorophenyl)sulfonyl-3-methoxy-4-(3-methylbutoxy)benzohydrazide
CID 26952142
N'-[4-(3-methylbutoxy)benzoyl]-4-propan-2-ylbenzohydrazide
CID 17177576
2-chloro-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide
CID 4927887
N'-(2-fluorophenyl)sulfonyl-3-methoxy-5-propan-2-yloxybenzohydrazide
CID 135298667
N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-(3-methylbutoxy)benzohydrazide
CID 8617605
3-methoxy-4-(3-methylbutoxy)-N'-(2-nitrophenyl)sulfonylbenzohydrazide
CID 26952120

Frequently Asked Questions

What is the IUPAC name of N'-(2-fluorophenyl)sulfonyl-4-(3-methylbutoxy)benzohydrazide?
The IUPAC name of N'-(2-fluorophenyl)sulfonyl-4-(3-methylbutoxy)benzohydrazide (CID 8617549) is N'-(2-fluorophenyl)sulfonyl-4-(3-methylbutoxy)benzohydrazide.
What is the SMILES notation for N'-(2-fluorophenyl)sulfonyl-4-(3-methylbutoxy)benzohydrazide?
The canonical SMILES for N'-(2-fluorophenyl)sulfonyl-4-(3-methylbutoxy)benzohydrazide is CC(C)CCOc1ccc(C(=O)NNS(=O)(=O)c2ccccc2F)cc1.
What is the InChIKey of N'-(2-fluorophenyl)sulfonyl-4-(3-methylbutoxy)benzohydrazide?
The InChIKey is YXUFPVOSOKLZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O4S/c1-13(2)11-12-25-15-9-7-14(8-10-15)18(22)20-21-26(23,24)17-6-4-3-5-16(17)19/h3-10,13,21H,11-12H2,1-2H3,(H,20,22).
What are the key properties of N'-(2-fluorophenyl)sulfonyl-4-(3-methylbutoxy)benzohydrazide?
N'-(2-fluorophenyl)sulfonyl-4-(3-methylbutoxy)benzohydrazide has a molecular weight of 380.44 g/mol, XLogP of 2.87, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluorophenyl)sulfonyl-4-(3-methylbutoxy)benzohydrazide is sourced from PubChem (CID 8617549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).