5-(2-chloro-3-fluorophenyl)-N'-cyclohexylsulfonyl-2-fluoro-3-methylbenzohydrazide

C20H21ClF2N2O3S — CID 134581227

IUPAC5-(2-chloro-3-fluorophenyl)-N'-cyclohexylsulfonyl-2-fluoro-3-methylbenzohydrazide
SMILESCc1cc(-c2cccc(F)c2Cl)cc(C(=O)NNS(=O)(=O)C2CCCCC2)c1F
InChIInChI=1S/C20H21ClF2N2O3S/c1-12-10-13(15-8-5-9-17(22)18(15)21)11-16(19(12)23)20(26)24-25-29(27,28)14-6-3-2-4-7-14/h5,8-11,14,25H,2-4,6-7H2,1H3,(H,24,26)
InChIKeyPGBUTCQQABJUAN-UHFFFAOYSA-N
MW442.92 g/mol
LogP4.49
Rot. Bonds5

About 5-(2-chloro-3-fluorophenyl)-N'-cyclohexylsulfonyl-2-fluoro-3-methylbenzohydrazide

5-(2-chloro-3-fluorophenyl)-N'-cyclohexylsulfonyl-2-fluoro-3-methylbenzohydrazide (PubChem CID 134581227) has the molecular formula C20H21ClF2N2O3S and a molecular weight of 442.92 g/mol. Its IUPAC name is 5-(2-chloro-3-fluorophenyl)-N'-cyclohexylsulfonyl-2-fluoro-3-methylbenzohydrazide.

Molecular Properties

Compound Name5-(2-chloro-3-fluorophenyl)-N'-cyclohexylsulfonyl-2-fluoro-3-methylbenzohydrazide
PubChem CID134581227
Molecular FormulaC20H21ClF2N2O3S
Molecular Weight442.92 g/mol
Exact Mass442.09
IUPAC Name5-(2-chloro-3-fluorophenyl)-N'-cyclohexylsulfonyl-2-fluoro-3-methylbenzohydrazide
SMILESCc1cc(-c2cccc(F)c2Cl)cc(C(=O)NNS(=O)(=O)C2CCCCC2)c1F
InChIInChI=1S/C20H21ClF2N2O3S/c1-12-10-13(15-8-5-9-17(22)18(15)21)11-16(19(12)23)20(26)24-25-29(27,28)14-6-3-2-4-7-14/h5,8-11,14,25H,2-4,6-7H2,1H3,(H,24,26)
InChIKeyPGBUTCQQABJUAN-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

5-chloro-N'-cyclohexylsulfonyl-2-fluoro-3-methylbenzohydrazide
CID 134581318
N'-(cyclohexylmethylsulfonyl)-2-fluoro-5-(3-fluorophenyl)-3-methylbenzohydrazide
CID 134581165
N-[2-[3-chloro-2-fluoro-5-(2-fluorophenyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide
CID 167659738
2-fluoro-3-methyl-5-phenyl-N'-[1-(2-phenylethyl)azetidin-3-yl]sulfonylbenzohydrazide
CID 134581287
N'-ethylsulfonyl-2-fluoro-3-methyl-5-phenylbenzohydrazide
CID 134581312
N'-[(2-chlorophenyl)methylsulfonyl]-2-fluoro-3-methyl-5-phenylbenzohydrazide
CID 134581313
2-fluoro-3-methyl-N'-[(1-methylpiperidin-3-yl)methylsulfonyl]-5-phenylbenzohydrazide
CID 134581224
N'-cyclohexylsulfonyl-6-phenyl-1H-benzimidazole-4-carbohydrazide
CID 134581339
3-chloro-N-cyclobutyl-4-fluoro-5-[(oxan-4-ylsulfonylamino)carbamoyl]benzamide
CID 134581457
2-fluoro-N'-[[1-(2-hydroxyethyl)piperidin-4-yl]methylsulfonyl]-3-methyl-5-phenylbenzohydrazide
CID 134581031
3,5-dichloro-N'-(cyclohexylmethylsulfonyl)-2-fluorobenzohydrazide
CID 134581051
2-fluoro-N'-[1-(2-hydroxyethyl)azetidin-3-yl]sulfanyl-3-methyl-5-phenylbenzohydrazide
CID 142366380

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-3-fluorophenyl)-N'-cyclohexylsulfonyl-2-fluoro-3-methylbenzohydrazide?
The IUPAC name of 5-(2-chloro-3-fluorophenyl)-N'-cyclohexylsulfonyl-2-fluoro-3-methylbenzohydrazide (CID 134581227) is 5-(2-chloro-3-fluorophenyl)-N'-cyclohexylsulfonyl-2-fluoro-3-methylbenzohydrazide.
What is the SMILES notation for 5-(2-chloro-3-fluorophenyl)-N'-cyclohexylsulfonyl-2-fluoro-3-methylbenzohydrazide?
The canonical SMILES for 5-(2-chloro-3-fluorophenyl)-N'-cyclohexylsulfonyl-2-fluoro-3-methylbenzohydrazide is Cc1cc(-c2cccc(F)c2Cl)cc(C(=O)NNS(=O)(=O)C2CCCCC2)c1F.
What is the InChIKey of 5-(2-chloro-3-fluorophenyl)-N'-cyclohexylsulfonyl-2-fluoro-3-methylbenzohydrazide?
The InChIKey is PGBUTCQQABJUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClF2N2O3S/c1-12-10-13(15-8-5-9-17(22)18(15)21)11-16(19(12)23)20(26)24-25-29(27,28)14-6-3-2-4-7-14/h5,8-11,14,25H,2-4,6-7H2,1H3,(H,24,26).
What are the key properties of 5-(2-chloro-3-fluorophenyl)-N'-cyclohexylsulfonyl-2-fluoro-3-methylbenzohydrazide?
5-(2-chloro-3-fluorophenyl)-N'-cyclohexylsulfonyl-2-fluoro-3-methylbenzohydrazide 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 5-(2-chloro-3-fluorophenyl)-N'-cyclohexylsulfonyl-2-fluoro-3-methylbenzohydrazide is sourced from PubChem (CID 134581227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).