2-fluoro-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylbenzohydrazide

C18H21FN2O3S — CID 8523929

IUPAC2-fluoro-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylbenzohydrazide
SMILESCc1c(C)c(C)c(S(=O)(=O)NNC(=O)c2ccccc2F)c(C)c1C
InChIInChI=1S/C18H21FN2O3S/c1-10-11(2)13(4)17(14(5)12(10)3)25(23,24)21-20-18(22)15-8-6-7-9-16(15)19/h6-9,21H,1-5H3,(H,20,22)
InChIKeyBKVXOEWTGBZNFU-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.99
Rot. Bonds4

About 2-fluoro-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylbenzohydrazide

2-fluoro-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylbenzohydrazide (PubChem CID 8523929) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is 2-fluoro-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylbenzohydrazide.

Molecular Properties

Compound Name2-fluoro-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylbenzohydrazide
PubChem CID8523929
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC Name2-fluoro-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylbenzohydrazide
SMILESCc1c(C)c(C)c(S(=O)(=O)NNC(=O)c2ccccc2F)c(C)c1C
InChIInChI=1S/C18H21FN2O3S/c1-10-11(2)13(4)17(14(5)12(10)3)25(23,24)21-20-18(22)15-8-6-7-9-16(15)19/h6-9,21H,1-5H3,(H,20,22)
InChIKeyBKVXOEWTGBZNFU-UHFFFAOYSA-N
XLogP2.99
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylfuran-3-carbohydrazide
CID 8615831
4-bromo-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylbenzohydrazide
CID 26951559
N'-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2-fluorobenzohydrazide
CID 27658205
2-fluoro-N'-[4-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide
CID 8523928
N'-[(6-chloro-3-pyridinyl)sulfonyl]-2-fluorobenzohydrazide
CID 4729927
N'-(2,5-dichlorothiophen-3-yl)sulfonyl-2-fluorobenzohydrazide
CID 29099080
2-fluoro-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)benzohydrazide
CID 8523938
N'-(2-fluoro-5-methylphenyl)sulfonyl-2-hydroxybenzohydrazide
CID 60532960
N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2-fluorobenzohydrazide
CID 8523930
ethane;2-fluoro-N-methylbenzamide
CID 178102327
2-fluoro-N-methylbenzamide;hydrate
CID 141303255
2-fluoro-N'-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]sulfonyl]benzohydrazide
CID 166380102

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylbenzohydrazide?
The IUPAC name of 2-fluoro-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylbenzohydrazide (CID 8523929) is 2-fluoro-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylbenzohydrazide.
What is the SMILES notation for 2-fluoro-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylbenzohydrazide?
The canonical SMILES for 2-fluoro-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylbenzohydrazide is Cc1c(C)c(C)c(S(=O)(=O)NNC(=O)c2ccccc2F)c(C)c1C.
What is the InChIKey of 2-fluoro-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylbenzohydrazide?
The InChIKey is BKVXOEWTGBZNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-10-11(2)13(4)17(14(5)12(10)3)25(23,24)21-20-18(22)15-8-6-7-9-16(15)19/h6-9,21H,1-5H3,(H,20,22).
What are the key properties of 2-fluoro-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylbenzohydrazide?
2-fluoro-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylbenzohydrazide has a molecular weight of 364.44 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylbenzohydrazide is sourced from PubChem (CID 8523929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).