4-hydrazinyl-2,6-dimethyl-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide

C14H23N3O3S — CID 107327853

IUPAC4-hydrazinyl-2,6-dimethyl-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide
SMILESCc1cc(NN)cc(C)c1S(=O)(=O)NC(C)C1CCCO1
InChIInChI=1S/C14H23N3O3S/c1-9-7-12(16-15)8-10(2)14(9)21(18,19)17-11(3)13-5-4-6-20-13/h7-8,11,13,16-17H,4-6,15H2,1-3H3
InChIKeySMPLTYRHHJUHLP-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.43
Rot. Bonds5

About 4-hydrazinyl-2,6-dimethyl-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide

4-hydrazinyl-2,6-dimethyl-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide (PubChem CID 107327853) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 4-hydrazinyl-2,6-dimethyl-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-hydrazinyl-2,6-dimethyl-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide
PubChem CID107327853
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name4-hydrazinyl-2,6-dimethyl-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide
SMILESCc1cc(NN)cc(C)c1S(=O)(=O)NC(C)C1CCCO1
InChIInChI=1S/C14H23N3O3S/c1-9-7-12(16-15)8-10(2)14(9)21(18,19)17-11(3)13-5-4-6-20-13/h7-8,11,13,16-17H,4-6,15H2,1-3H3
InChIKeySMPLTYRHHJUHLP-UHFFFAOYSA-N
XLogP1.43
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4,5-dimethoxy-2-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]benzenesulfonamide
CID 35611524
3-amino-5-fluoro-4-methyl-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 116791500
5-hydrazinyl-4-nitro-N-[1-(oxolan-2-yl)ethyl]thiophene-2-sulfonamide
CID 80736252
3-hydrazinyl-N-[1-(oxolan-2-yl)ethyl]pyridine-2-sulfonamide
CID 103300982
4-chloro-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 6465192
N-cyclobutyl-4-hydrazinyl-2,6-dimethylbenzenesulfonamide
CID 107327980
2-hydroxy-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 81241326
N-[1-(oxolan-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 42955258
3-[1-(oxolan-2-yl)ethylsulfamoyl]benzenesulfonyl chloride
CID 43533925
2-chloro-N-[1-(oxolan-2-yl)ethyl]-1,3-thiazole-5-sulfonamide
CID 43533896
2-amino-5-bromo-N-[1-(oxolan-2-yl)ethyl]pyridine-3-sulfonamide
CID 55043444
2-amino-5-nitro-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 62146601

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-2,6-dimethyl-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-hydrazinyl-2,6-dimethyl-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide (CID 107327853) is 4-hydrazinyl-2,6-dimethyl-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-hydrazinyl-2,6-dimethyl-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-hydrazinyl-2,6-dimethyl-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide is Cc1cc(NN)cc(C)c1S(=O)(=O)NC(C)C1CCCO1.
What is the InChIKey of 4-hydrazinyl-2,6-dimethyl-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide?
The InChIKey is SMPLTYRHHJUHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-9-7-12(16-15)8-10(2)14(9)21(18,19)17-11(3)13-5-4-6-20-13/h7-8,11,13,16-17H,4-6,15H2,1-3H3.
What are the key properties of 4-hydrazinyl-2,6-dimethyl-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide?
4-hydrazinyl-2,6-dimethyl-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide has a molecular weight of 313.42 g/mol, XLogP of 1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-2,6-dimethyl-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 107327853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).