3-chloro-N'-cyclohexylsulfonyl-2-fluoro-5-(3-fluoro-5-methylphenyl)benzohydrazide

C20H21ClF2N2O3S — CID 134581029

IUPAC3-chloro-N'-cyclohexylsulfonyl-2-fluoro-5-(3-fluoro-5-methylphenyl)benzohydrazide
SMILESCc1cc(F)cc(-c2cc(Cl)c(F)c(C(=O)NNS(=O)(=O)C3CCCCC3)c2)c1
InChIInChI=1S/C20H21ClF2N2O3S/c1-12-7-13(9-15(22)8-12)14-10-17(19(23)18(21)11-14)20(26)24-25-29(27,28)16-5-3-2-4-6-16/h7-11,16,25H,2-6H2,1H3,(H,24,26)
InChIKeyJTANXTHQOCABRS-UHFFFAOYSA-N
MW442.92 g/mol
LogP4.49
Rot. Bonds5

About 3-chloro-N'-cyclohexylsulfonyl-2-fluoro-5-(3-fluoro-5-methylphenyl)benzohydrazide

3-chloro-N'-cyclohexylsulfonyl-2-fluoro-5-(3-fluoro-5-methylphenyl)benzohydrazide (PubChem CID 134581029) has the molecular formula C20H21ClF2N2O3S and a molecular weight of 442.92 g/mol. Its IUPAC name is 3-chloro-N'-cyclohexylsulfonyl-2-fluoro-5-(3-fluoro-5-methylphenyl)benzohydrazide.

Molecular Properties

Compound Name3-chloro-N'-cyclohexylsulfonyl-2-fluoro-5-(3-fluoro-5-methylphenyl)benzohydrazide
PubChem CID134581029
Molecular FormulaC20H21ClF2N2O3S
Molecular Weight442.92 g/mol
Exact Mass442.09
IUPAC Name3-chloro-N'-cyclohexylsulfonyl-2-fluoro-5-(3-fluoro-5-methylphenyl)benzohydrazide
SMILESCc1cc(F)cc(-c2cc(Cl)c(F)c(C(=O)NNS(=O)(=O)C3CCCCC3)c2)c1
InChIInChI=1S/C20H21ClF2N2O3S/c1-12-7-13(9-15(22)8-12)14-10-17(19(23)18(21)11-14)20(26)24-25-29(27,28)16-5-3-2-4-6-16/h7-11,16,25H,2-6H2,1H3,(H,24,26)
InChIKeyJTANXTHQOCABRS-UHFFFAOYSA-N
XLogP4.49
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.92
LogP ≤ 54.49
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

(1,1'-Biphenyl)-3-carboxylic acid, 4-fluoro-5-methyl-, 2-(phenylsulfonyl)hydrazide
CID 133053564
N'-(benzenesulfonyl)-3-(3-chlorophenyl)benzohydrazide
CID 124132157
N'-(benzenesulfonyl)-3-chloro-2-fluoro-5-phenylbenzohydrazide
CID 124132194
N'-(benzenesulfonyl)-3-chloro-2-fluorobenzohydrazide
CID 134581202
2-fluoro-N'-(2-fluorophenyl)sulfonyl-3-methyl-5-phenylbenzohydrazide
CID 155516964
5-chloro-2-fluoro-N'-(2-fluorophenyl)sulfonyl-3-phenylbenzohydrazide
CID 155569125
N'-(benzenesulfonyl)-3-(2-chlorophenyl)benzohydrazide
CID 124132191
N'-(benzenesulfonyl)-3-(4-chlorophenyl)benzohydrazide
CID 135298531
N'-(benzenesulfonyl)-2,6-difluoro-3-methyl-5-phenylbenzohydrazide
CID 134580936
3-chloro-N'-[(1,4-dimethylpiperazin-2-yl)methylsulfonyl]-2-fluoro-5-(3-methylphenyl)benzohydrazide
CID 167076488
N'-(azepan-3-ylmethylsulfonyl)-3-chloro-2-fluoro-5-(3-methylphenyl)benzohydrazide
CID 167076556
3-chloro-2-fluoro-N'-[(4-methylmorpholin-2-yl)methylsulfonyl]-5-(3-methylphenyl)benzohydrazide
CID 167076629

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-cyclohexylsulfonyl-2-fluoro-5-(3-fluoro-5-methylphenyl)benzohydrazide?
The IUPAC name of 3-chloro-N'-cyclohexylsulfonyl-2-fluoro-5-(3-fluoro-5-methylphenyl)benzohydrazide (CID 134581029) is 3-chloro-N'-cyclohexylsulfonyl-2-fluoro-5-(3-fluoro-5-methylphenyl)benzohydrazide.
What is the SMILES notation for 3-chloro-N'-cyclohexylsulfonyl-2-fluoro-5-(3-fluoro-5-methylphenyl)benzohydrazide?
The canonical SMILES for 3-chloro-N'-cyclohexylsulfonyl-2-fluoro-5-(3-fluoro-5-methylphenyl)benzohydrazide is Cc1cc(F)cc(-c2cc(Cl)c(F)c(C(=O)NNS(=O)(=O)C3CCCCC3)c2)c1.
What is the InChIKey of 3-chloro-N'-cyclohexylsulfonyl-2-fluoro-5-(3-fluoro-5-methylphenyl)benzohydrazide?
The InChIKey is JTANXTHQOCABRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClF2N2O3S/c1-12-7-13(9-15(22)8-12)14-10-17(19(23)18(21)11-14)20(26)24-25-29(27,28)16-5-3-2-4-6-16/h7-11,16,25H,2-6H2,1H3,(H,24,26).
What are the key properties of 3-chloro-N'-cyclohexylsulfonyl-2-fluoro-5-(3-fluoro-5-methylphenyl)benzohydrazide?
3-chloro-N'-cyclohexylsulfonyl-2-fluoro-5-(3-fluoro-5-methylphenyl)benzohydrazide has a molecular weight of 442.92 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-cyclohexylsulfonyl-2-fluoro-5-(3-fluoro-5-methylphenyl)benzohydrazide is sourced from PubChem (CID 134581029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).