5-chloro-N'-cyclohexylsulfonyl-2-fluoro-3-methylbenzohydrazide

C14H18ClFN2O3S — CID 134581318

IUPAC5-chloro-N'-cyclohexylsulfonyl-2-fluoro-3-methylbenzohydrazide
SMILESCc1cc(Cl)cc(C(=O)NNS(=O)(=O)C2CCCCC2)c1F
InChIInChI=1S/C14H18ClFN2O3S/c1-9-7-10(15)8-12(13(9)16)14(19)17-18-22(20,21)11-5-3-2-4-6-11/h7-8,11,18H,2-6H2,1H3,(H,17,19)
InChIKeyDMQVKRJNKGLDDY-UHFFFAOYSA-N
MW348.83 g/mol
LogP2.68
Rot. Bonds4

About 5-chloro-N'-cyclohexylsulfonyl-2-fluoro-3-methylbenzohydrazide

5-chloro-N'-cyclohexylsulfonyl-2-fluoro-3-methylbenzohydrazide (PubChem CID 134581318) has the molecular formula C14H18ClFN2O3S and a molecular weight of 348.83 g/mol. Its IUPAC name is 5-chloro-N'-cyclohexylsulfonyl-2-fluoro-3-methylbenzohydrazide.

Molecular Properties

Compound Name5-chloro-N'-cyclohexylsulfonyl-2-fluoro-3-methylbenzohydrazide
PubChem CID134581318
Molecular FormulaC14H18ClFN2O3S
Molecular Weight348.83 g/mol
Exact Mass348.07
IUPAC Name5-chloro-N'-cyclohexylsulfonyl-2-fluoro-3-methylbenzohydrazide
SMILESCc1cc(Cl)cc(C(=O)NNS(=O)(=O)C2CCCCC2)c1F
InChIInChI=1S/C14H18ClFN2O3S/c1-9-7-10(15)8-12(13(9)16)14(19)17-18-22(20,21)11-5-3-2-4-6-11/h7-8,11,18H,2-6H2,1H3,(H,17,19)
InChIKeyDMQVKRJNKGLDDY-UHFFFAOYSA-N
XLogP2.68
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 52.68
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-(2-chloro-3-fluorophenyl)-N'-cyclohexylsulfonyl-2-fluoro-3-methylbenzohydrazide
CID 134581227
3,5-dichloro-N'-(cyclohexylmethylsulfonyl)-2-fluorobenzohydrazide
CID 134581051
3-chloro-N-cyclobutyl-4-fluoro-5-[(oxan-4-ylsulfonylamino)carbamoyl]benzamide
CID 134581457
5-chloro-2-fluoro-3-methylbenzoic acid
CID 79002360
methyl 5-chloro-2-(cyclopropylsulfonylamino)-3-methylbenzoate
CID 139512737
N'-(cyclohexylmethylsulfonyl)-2-fluoro-5-(3-fluorophenyl)-3-methylbenzohydrazide
CID 134581165
2-fluoro-3-methyl-5-phenyl-N'-[1-(2-phenylethyl)azetidin-3-yl]sulfonylbenzohydrazide
CID 134581287
3-chloro-N'-(cyclohexylmethylsulfonyl)-5-ethyl-2-fluorobenzohydrazide
CID 134581056
N-[2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide
CID 167671598
(1S)-N-(3-chloro-4-fluorophenyl)-1-(cyclohexylsulfonylamino)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide
CID 142433490
5-chloro-N-cyclohexyl-2-methylbenzamide
CID 83407385
N-(3-chloro-4-fluorophenyl)-1-(cyclopentylsulfonylamino)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide
CID 153315393

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N'-cyclohexylsulfonyl-2-fluoro-3-methylbenzohydrazide?
The IUPAC name of 5-chloro-N'-cyclohexylsulfonyl-2-fluoro-3-methylbenzohydrazide (CID 134581318) is 5-chloro-N'-cyclohexylsulfonyl-2-fluoro-3-methylbenzohydrazide.
What is the SMILES notation for 5-chloro-N'-cyclohexylsulfonyl-2-fluoro-3-methylbenzohydrazide?
The canonical SMILES for 5-chloro-N'-cyclohexylsulfonyl-2-fluoro-3-methylbenzohydrazide is Cc1cc(Cl)cc(C(=O)NNS(=O)(=O)C2CCCCC2)c1F.
What is the InChIKey of 5-chloro-N'-cyclohexylsulfonyl-2-fluoro-3-methylbenzohydrazide?
The InChIKey is DMQVKRJNKGLDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O3S/c1-9-7-10(15)8-12(13(9)16)14(19)17-18-22(20,21)11-5-3-2-4-6-11/h7-8,11,18H,2-6H2,1H3,(H,17,19).
What are the key properties of 5-chloro-N'-cyclohexylsulfonyl-2-fluoro-3-methylbenzohydrazide?
5-chloro-N'-cyclohexylsulfonyl-2-fluoro-3-methylbenzohydrazide has a molecular weight of 348.83 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N'-cyclohexylsulfonyl-2-fluoro-3-methylbenzohydrazide is sourced from PubChem (CID 134581318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).