3,5-dichloro-N'-(cyclohexylmethylsulfonyl)-2-fluorobenzohydrazide

C14H17Cl2FN2O3S — CID 134581051

IUPAC3,5-dichloro-N'-(cyclohexylmethylsulfonyl)-2-fluorobenzohydrazide
SMILESO=C(NNS(=O)(=O)CC1CCCCC1)c1cc(Cl)cc(Cl)c1F
InChIInChI=1S/C14H17Cl2FN2O3S/c15-10-6-11(13(17)12(16)7-10)14(20)18-19-23(21,22)8-9-4-2-1-3-5-9/h6-7,9,19H,1-5,8H2,(H,18,20)
InChIKeySBOWFBVACFMQPW-UHFFFAOYSA-N
MW383.27 g/mol
LogP3.28
Rot. Bonds5

About 3,5-dichloro-N'-(cyclohexylmethylsulfonyl)-2-fluorobenzohydrazide

3,5-dichloro-N'-(cyclohexylmethylsulfonyl)-2-fluorobenzohydrazide (PubChem CID 134581051) has the molecular formula C14H17Cl2FN2O3S and a molecular weight of 383.27 g/mol. Its IUPAC name is 3,5-dichloro-N'-(cyclohexylmethylsulfonyl)-2-fluorobenzohydrazide.

Molecular Properties

Compound Name3,5-dichloro-N'-(cyclohexylmethylsulfonyl)-2-fluorobenzohydrazide
PubChem CID134581051
Molecular FormulaC14H17Cl2FN2O3S
Molecular Weight383.27 g/mol
Exact Mass382.03
IUPAC Name3,5-dichloro-N'-(cyclohexylmethylsulfonyl)-2-fluorobenzohydrazide
SMILESO=C(NNS(=O)(=O)CC1CCCCC1)c1cc(Cl)cc(Cl)c1F
InChIInChI=1S/C14H17Cl2FN2O3S/c15-10-6-11(13(17)12(16)7-10)14(20)18-19-23(21,22)8-9-4-2-1-3-5-9/h6-7,9,19H,1-5,8H2,(H,18,20)
InChIKeySBOWFBVACFMQPW-UHFFFAOYSA-N
XLogP3.28
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.27
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N'-(cyclohexylmethylsulfonyl)-5-ethyl-2-fluorobenzohydrazide
CID 134581056
N'-(cyclohexylmethylsulfonyl)-2-fluoro-5-(3-fluorophenyl)-3-methylbenzohydrazide
CID 134581165
N-[2-(3,5-dichloro-2-fluorophenyl)-2-oxoethyl]-1-(oxan-4-yl)methanesulfonamide
CID 167624082
5-chloro-N'-cyclohexylsulfonyl-2-fluoro-3-methylbenzohydrazide
CID 134581318
5-chloro-3-(cyclohexylmethylsulfonyl)-2-fluorobenzoic acid
CID 43323203
5-chloro-N-(cyclopentylmethyl)-2-fluoro-3-sulfamoylbenzamide
CID 65388548
5-chloro-N-(cyclohexylmethyl)-2-fluorobenzamide
CID 60674706
2-fluoro-3-methyl-N'-[(1-methylpiperidin-3-yl)methylsulfonyl]-5-phenylbenzohydrazide
CID 134581224
N-[2-[3-chloro-2-fluoro-5-(hydroxymethyl)phenyl]-2-oxoethyl]-1-(oxan-4-yl)methanesulfonamide
CID 167570071
2-fluoro-N'-[[1-(2-hydroxyethyl)piperidin-4-yl]methylsulfonyl]-3-methyl-5-phenylbenzohydrazide
CID 134581031
N-(2-bromo-6-chloro-4-fluorophenyl)-1-cyclohexylmethanesulfonamide
CID 107612698
1-(cyclobutanecarbonyl)-N-[2-(3,5-dichloro-2-fluorophenyl)-2-oxoethyl]piperidine-4-sulfonamide
CID 167573284

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N'-(cyclohexylmethylsulfonyl)-2-fluorobenzohydrazide?
The IUPAC name of 3,5-dichloro-N'-(cyclohexylmethylsulfonyl)-2-fluorobenzohydrazide (CID 134581051) is 3,5-dichloro-N'-(cyclohexylmethylsulfonyl)-2-fluorobenzohydrazide.
What is the SMILES notation for 3,5-dichloro-N'-(cyclohexylmethylsulfonyl)-2-fluorobenzohydrazide?
The canonical SMILES for 3,5-dichloro-N'-(cyclohexylmethylsulfonyl)-2-fluorobenzohydrazide is O=C(NNS(=O)(=O)CC1CCCCC1)c1cc(Cl)cc(Cl)c1F.
What is the InChIKey of 3,5-dichloro-N'-(cyclohexylmethylsulfonyl)-2-fluorobenzohydrazide?
The InChIKey is SBOWFBVACFMQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2FN2O3S/c15-10-6-11(13(17)12(16)7-10)14(20)18-19-23(21,22)8-9-4-2-1-3-5-9/h6-7,9,19H,1-5,8H2,(H,18,20).
What are the key properties of 3,5-dichloro-N'-(cyclohexylmethylsulfonyl)-2-fluorobenzohydrazide?
3,5-dichloro-N'-(cyclohexylmethylsulfonyl)-2-fluorobenzohydrazide has a molecular weight of 383.27 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N'-(cyclohexylmethylsulfonyl)-2-fluorobenzohydrazide is sourced from PubChem (CID 134581051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).