N-[2-[2-[(1R)-cyclohex-3-ene-1-carbonyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide

C17H23N3O4S — CID 26643906

IUPACN-[2-[2-[(1R)-cyclohex-3-ene-1-carbonyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@H]2CC=CCC2)cc1
InChIInChI=1S/C17H23N3O4S/c1-13-8-10-15(11-9-13)25(23,24)20(2)12-16(21)18-19-17(22)14-6-4-3-5-7-14/h3-4,8-11,14H,5-7,12H2,1-2H3,(H,18,21)(H,19,22)/t14-/m0/s1
InChIKeyDZXLVOAXVOZZEH-AWEZNQCLSA-N
MW365.46 g/mol
LogP1.12
Rot. Bonds5

About N-[2-[2-[(1R)-cyclohex-3-ene-1-carbonyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide

N-[2-[2-[(1R)-cyclohex-3-ene-1-carbonyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide (PubChem CID 26643906) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-[2-[2-[(1R)-cyclohex-3-ene-1-carbonyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-[(1R)-cyclohex-3-ene-1-carbonyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
PubChem CID26643906
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC NameN-[2-[2-[(1R)-cyclohex-3-ene-1-carbonyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@H]2CC=CCC2)cc1
InChIInChI=1S/C17H23N3O4S/c1-13-8-10-15(11-9-13)25(23,24)20(2)12-16(21)18-19-17(22)14-6-4-3-5-7-14/h3-4,8-11,14H,5-7,12H2,1-2H3,(H,18,21)(H,19,22)/t14-/m0/s1
InChIKeyDZXLVOAXVOZZEH-AWEZNQCLSA-N
XLogP1.12
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 7978855
N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 26854580
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]cyclohex-3-ene-1-carboxamide
CID 134039501
N-(2-hydrazinyl-2-oxoethyl)-N,4-dimethylbenzenesulfonamide
CID 2302661
N,4-dimethyl-N-[2-oxo-2-[2-(pyridine-4-carbonyl)hydrazinyl]ethyl]benzenesulfonamide
CID 26854587
N,4-dimethyl-N-[2-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzenesulfonamide
CID 7978889
N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 9122678
N-[2-[2-(2-hydroxy-5-methylbenzoyl)hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 27681289
N-[2-[2-(3,4-dimethylbenzoyl)hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 7978883
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 133209869
N,4-dimethyl-N-[2-[2-(2-naphthalen-1-ylacetyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide
CID 27681328
3-[(cyclohex-3-ene-1-carbonylamino)carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 43001615

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(1R)-cyclohex-3-ene-1-carbonyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-[2-[(1R)-cyclohex-3-ene-1-carbonyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide (CID 26643906) is N-[2-[2-[(1R)-cyclohex-3-ene-1-carbonyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-[2-[(1R)-cyclohex-3-ene-1-carbonyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-[2-[(1R)-cyclohex-3-ene-1-carbonyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@H]2CC=CCC2)cc1.
What is the InChIKey of N-[2-[2-[(1R)-cyclohex-3-ene-1-carbonyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide?
The InChIKey is DZXLVOAXVOZZEH-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-13-8-10-15(11-9-13)25(23,24)20(2)12-16(21)18-19-17(22)14-6-4-3-5-7-14/h3-4,8-11,14H,5-7,12H2,1-2H3,(H,18,21)(H,19,22)/t14-/m0/s1.
What are the key properties of N-[2-[2-[(1R)-cyclohex-3-ene-1-carbonyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide?
N-[2-[2-[(1R)-cyclohex-3-ene-1-carbonyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide has a molecular weight of 365.46 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(1R)-cyclohex-3-ene-1-carbonyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 26643906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).