N-(3-azidopropyl)-4-fluoro-2,6-dimethylbenzenesulfonamide

C11H15FN4O2S — CID 107328410

IUPACN-(3-azidopropyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)NCCCN=[N+]=[N-]
InChIInChI=1S/C11H15FN4O2S/c1-8-6-10(12)7-9(2)11(8)19(17,18)15-5-3-4-14-16-13/h6-7,15H,3-5H2,1-2H3
InChIKeyBHWKUIPVFXRHBE-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.42
Rot. Bonds6

About N-(3-azidopropyl)-4-fluoro-2,6-dimethylbenzenesulfonamide

N-(3-azidopropyl)-4-fluoro-2,6-dimethylbenzenesulfonamide (PubChem CID 107328410) has the molecular formula C11H15FN4O2S and a molecular weight of 286.33 g/mol. Its IUPAC name is N-(3-azidopropyl)-4-fluoro-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-azidopropyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
PubChem CID107328410
Molecular FormulaC11H15FN4O2S
Molecular Weight286.33 g/mol
Exact Mass286.09
IUPAC NameN-(3-azidopropyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)NCCCN=[N+]=[N-]
InChIInChI=1S/C11H15FN4O2S/c1-8-6-10(12)7-9(2)11(8)19(17,18)15-5-3-4-14-16-13/h6-7,15H,3-5H2,1-2H3
InChIKeyBHWKUIPVFXRHBE-UHFFFAOYSA-N
XLogP2.42
TPSA94.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-(3-azidopropyl)-4-fluoro-2-methylbenzenesulfonamide
CID 61343636
4-fluoro-2,6-dimethyl-N-octylbenzenesulfonamide
CID 107327354
4-fluoro-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide
CID 107326821
5-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]pentanethioamide
CID 107327675
4-fluoro-2,6-dimethyl-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 120706430
N-(3-azidopropyl)-3,5-dichlorobenzenesulfonamide
CID 61343464
N-[2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 107326734
N-[2-(diethylamino)ethyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326452
N-[2-(dimethylsulfamoyl)ethyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 106336296
N-[2-(cyclopropylamino)ethyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107328278
4-fluoro-2,6-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106150602
3-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 107327415

Frequently Asked Questions

What is the IUPAC name of N-(3-azidopropyl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
The IUPAC name of N-(3-azidopropyl)-4-fluoro-2,6-dimethylbenzenesulfonamide (CID 107328410) is N-(3-azidopropyl)-4-fluoro-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(3-azidopropyl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for N-(3-azidopropyl)-4-fluoro-2,6-dimethylbenzenesulfonamide is Cc1cc(F)cc(C)c1S(=O)(=O)NCCCN=[N+]=[N-].
What is the InChIKey of N-(3-azidopropyl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
The InChIKey is BHWKUIPVFXRHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4O2S/c1-8-6-10(12)7-9(2)11(8)19(17,18)15-5-3-4-14-16-13/h6-7,15H,3-5H2,1-2H3.
What are the key properties of N-(3-azidopropyl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
N-(3-azidopropyl)-4-fluoro-2,6-dimethylbenzenesulfonamide has a molecular weight of 286.33 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azidopropyl)-4-fluoro-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 107328410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).