N-cyclohexyl-4-fluoro-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide

C14H20FN3O3S — CID 3320644

IUPACN-cyclohexyl-4-fluoro-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
SMILESNNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H20FN3O3S/c15-11-6-8-13(9-7-11)22(20,21)18(10-14(19)17-16)12-4-2-1-3-5-12/h6-9,12H,1-5,10,16H2,(H,17,19)
InChIKeyOZHFGSOSMLUEKC-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.14
Rot. Bonds5

About N-cyclohexyl-4-fluoro-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide

N-cyclohexyl-4-fluoro-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide (PubChem CID 3320644) has the molecular formula C14H20FN3O3S and a molecular weight of 329.40 g/mol. Its IUPAC name is N-cyclohexyl-4-fluoro-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-4-fluoro-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
PubChem CID3320644
Molecular FormulaC14H20FN3O3S
Molecular Weight329.40 g/mol
Exact Mass329.12
IUPAC NameN-cyclohexyl-4-fluoro-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
SMILESNNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H20FN3O3S/c15-11-6-8-13(9-7-11)22(20,21)18(10-14(19)17-16)12-4-2-1-3-5-12/h6-9,12H,1-5,10,16H2,(H,17,19)
InChIKeyOZHFGSOSMLUEKC-UHFFFAOYSA-N
XLogP1.14
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-fluoro-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide?
The IUPAC name of N-cyclohexyl-4-fluoro-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide (CID 3320644) is N-cyclohexyl-4-fluoro-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-4-fluoro-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide?
The canonical SMILES for N-cyclohexyl-4-fluoro-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide is NNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-cyclohexyl-4-fluoro-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide?
The InChIKey is OZHFGSOSMLUEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O3S/c15-11-6-8-13(9-7-11)22(20,21)18(10-14(19)17-16)12-4-2-1-3-5-12/h6-9,12H,1-5,10,16H2,(H,17,19).
What are the key properties of N-cyclohexyl-4-fluoro-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide?
N-cyclohexyl-4-fluoro-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide has a molecular weight of 329.40 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-fluoro-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide is sourced from PubChem (CID 3320644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).