4-hydrazinyl-N,2,6-trimethyl-N-(3-methylbutyl)benzenesulfonamide

C14H25N3O2S — CID 107327900

IUPAC4-hydrazinyl-N,2,6-trimethyl-N-(3-methylbutyl)benzenesulfonamide
SMILESCc1cc(NN)cc(C)c1S(=O)(=O)N(C)CCC(C)C
InChIInChI=1S/C14H25N3O2S/c1-10(2)6-7-17(5)20(18,19)14-11(3)8-13(16-15)9-12(14)4/h8-10,16H,6-7,15H2,1-5H3
InChIKeyPMFKVTGRFNQKQG-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.26
Rot. Bonds6

About 4-hydrazinyl-N,2,6-trimethyl-N-(3-methylbutyl)benzenesulfonamide

4-hydrazinyl-N,2,6-trimethyl-N-(3-methylbutyl)benzenesulfonamide (PubChem CID 107327900) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 4-hydrazinyl-N,2,6-trimethyl-N-(3-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name4-hydrazinyl-N,2,6-trimethyl-N-(3-methylbutyl)benzenesulfonamide
PubChem CID107327900
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name4-hydrazinyl-N,2,6-trimethyl-N-(3-methylbutyl)benzenesulfonamide
SMILESCc1cc(NN)cc(C)c1S(=O)(=O)N(C)CCC(C)C
InChIInChI=1S/C14H25N3O2S/c1-10(2)6-7-17(5)20(18,19)14-11(3)8-13(16-15)9-12(14)4/h8-10,16H,6-7,15H2,1-5H3
InChIKeyPMFKVTGRFNQKQG-UHFFFAOYSA-N
XLogP2.26
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-[2-(dimethylamino)ethyl]-4-hydrazinyl-N,2,6-trimethylbenzenesulfonamide
CID 107328017
N-(2,2-difluoroethyl)-4-hydrazinyl-N,2,6-trimethylbenzenesulfonamide
CID 107328167
4-hydrazinyl-N-(3-methoxypropyl)-N,2,6-trimethylbenzenesulfonamide
CID 107327994
4-hydrazinyl-2,6-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 107327983
N-ethyl-4-hydrazinyl-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide
CID 107327891
N-(cyclopropylmethyl)-4-hydrazinyl-2,6-dimethyl-N-propan-2-ylbenzenesulfonamide
CID 107327941
4-(ethylamino)-N,2,6-trimethyl-N-propylbenzenesulfonamide
CID 107328647
4-hydrazinyl-N,2,6-trimethyl-N-phenylbenzenesulfonamide
CID 107327779
2-amino-4,6-dichloro-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61114749
N,4-dimethyl-N-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 102752389
5-(aminomethyl)-2-bromo-N,3-dimethyl-N-(3-methylbutyl)benzenesulfonamide
CID 114364538
2,4-dimethyl-5-[methyl(3-methylbutyl)sulfamoyl]benzoic acid
CID 60950087

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-N,2,6-trimethyl-N-(3-methylbutyl)benzenesulfonamide?
The IUPAC name of 4-hydrazinyl-N,2,6-trimethyl-N-(3-methylbutyl)benzenesulfonamide (CID 107327900) is 4-hydrazinyl-N,2,6-trimethyl-N-(3-methylbutyl)benzenesulfonamide.
What is the SMILES notation for 4-hydrazinyl-N,2,6-trimethyl-N-(3-methylbutyl)benzenesulfonamide?
The canonical SMILES for 4-hydrazinyl-N,2,6-trimethyl-N-(3-methylbutyl)benzenesulfonamide is Cc1cc(NN)cc(C)c1S(=O)(=O)N(C)CCC(C)C.
What is the InChIKey of 4-hydrazinyl-N,2,6-trimethyl-N-(3-methylbutyl)benzenesulfonamide?
The InChIKey is PMFKVTGRFNQKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-10(2)6-7-17(5)20(18,19)14-11(3)8-13(16-15)9-12(14)4/h8-10,16H,6-7,15H2,1-5H3.
What are the key properties of 4-hydrazinyl-N,2,6-trimethyl-N-(3-methylbutyl)benzenesulfonamide?
4-hydrazinyl-N,2,6-trimethyl-N-(3-methylbutyl)benzenesulfonamide has a molecular weight of 299.44 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N,2,6-trimethyl-N-(3-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 107327900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).