N-(3-azidopropyl)-4-fluoro-2-methylbenzenesulfonamide

C10H13FN4O2S — CID 61343636

IUPACN-(3-azidopropyl)-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCCCN=[N+]=[N-]
InChIInChI=1S/C10H13FN4O2S/c1-8-7-9(11)3-4-10(8)18(16,17)14-6-2-5-13-15-12/h3-4,7,14H,2,5-6H2,1H3
InChIKeyHOUZQFLCOSXMCY-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.11
Rot. Bonds6

About N-(3-azidopropyl)-4-fluoro-2-methylbenzenesulfonamide

N-(3-azidopropyl)-4-fluoro-2-methylbenzenesulfonamide (PubChem CID 61343636) has the molecular formula C10H13FN4O2S and a molecular weight of 272.30 g/mol. Its IUPAC name is N-(3-azidopropyl)-4-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-azidopropyl)-4-fluoro-2-methylbenzenesulfonamide
PubChem CID61343636
Molecular FormulaC10H13FN4O2S
Molecular Weight272.30 g/mol
Exact Mass272.07
IUPAC NameN-(3-azidopropyl)-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCCCN=[N+]=[N-]
InChIInChI=1S/C10H13FN4O2S/c1-8-7-9(11)3-4-10(8)18(16,17)14-6-2-5-13-15-12/h3-4,7,14H,2,5-6H2,1H3
InChIKeyHOUZQFLCOSXMCY-UHFFFAOYSA-N
XLogP2.11
TPSA94.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.11
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-2,6-dimethylbenzenesulfonamide
CID 107328410
4-fluoro-N-(4-iodobutyl)-2-methylbenzenesulfonamide
CID 106846623
N-(6-chlorohexyl)-4-fluoro-2-methylbenzenesulfonamide
CID 114008823
4-fluoro-2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 62663350
4-[(4-fluoro-2-methylphenyl)sulfonylamino]-N'-hydroxybutanimidamide
CID 55102606
4-fluoro-2-methyl-N-[3-(3-methylphenyl)propyl]benzenesulfonamide
CID 84505251
N-(2-tert-butylsulfanylethyl)-4-fluoro-2-methylbenzenesulfonamide
CID 95177267
4-fluoro-2-methyl-N-[3-(N-methylanilino)propyl]benzenesulfonamide
CID 46534961
N-(3-bromopropyl)-5-fluoro-2-methylbenzenesulfonamide
CID 43167190
2,4-difluoro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43602835
4-fluoro-2-methyl-N-(2-phenoxyethyl)benzenesulfonamide
CID 35609122
4-fluoro-N-[2-(2-hydroxypropylamino)ethyl]-2-methylbenzenesulfonamide
CID 104593925

Frequently Asked Questions

What is the IUPAC name of N-(3-azidopropyl)-4-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-(3-azidopropyl)-4-fluoro-2-methylbenzenesulfonamide (CID 61343636) is N-(3-azidopropyl)-4-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-azidopropyl)-4-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-(3-azidopropyl)-4-fluoro-2-methylbenzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)NCCCN=[N+]=[N-].
What is the InChIKey of N-(3-azidopropyl)-4-fluoro-2-methylbenzenesulfonamide?
The InChIKey is HOUZQFLCOSXMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN4O2S/c1-8-7-9(11)3-4-10(8)18(16,17)14-6-2-5-13-15-12/h3-4,7,14H,2,5-6H2,1H3.
What are the key properties of N-(3-azidopropyl)-4-fluoro-2-methylbenzenesulfonamide?
N-(3-azidopropyl)-4-fluoro-2-methylbenzenesulfonamide has a molecular weight of 272.30 g/mol, XLogP of 2.11, 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-methylbenzenesulfonamide is sourced from PubChem (CID 61343636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).