N-(2-azidohexyl)-4-methylbenzenesulfonamide

C13H20N4O2S — CID 11266449

IUPACN-(2-azidohexyl)-4-methylbenzenesulfonamide
SMILESCCCCC(CNS(=O)(=O)c1ccc(C)cc1)N=[N+]=[N-]
InChIInChI=1S/C13H20N4O2S/c1-3-4-5-12(16-17-14)10-15-20(18,19)13-8-6-11(2)7-9-13/h6-9,12,15H,3-5,10H2,1-2H3
InChIKeyGBCYCRFFTSTXAC-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.14
Rot. Bonds8

About N-(2-azidohexyl)-4-methylbenzenesulfonamide

N-(2-azidohexyl)-4-methylbenzenesulfonamide (PubChem CID 11266449) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is N-(2-azidohexyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-azidohexyl)-4-methylbenzenesulfonamide
PubChem CID11266449
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC NameN-(2-azidohexyl)-4-methylbenzenesulfonamide
SMILESCCCCC(CNS(=O)(=O)c1ccc(C)cc1)N=[N+]=[N-]
InChIInChI=1S/C13H20N4O2S/c1-3-4-5-12(16-17-14)10-15-20(18,19)13-8-6-11(2)7-9-13/h6-9,12,15H,3-5,10H2,1-2H3
InChIKeyGBCYCRFFTSTXAC-UHFFFAOYSA-N
XLogP3.14
TPSA94.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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'}

Analyze N-(2-azidohexyl)-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-2-hydroxyhexyl]-4-methylbenzenesulfonamide
CID 135005405
4-methyl-N-[(2R)-2-[(4-methylphenyl)sulfonylamino]octyl]benzenesulfonamide
CID 101389381
1-[(4-methylphenyl)sulfonylamino]hexan-2-yl acetate
CID 101158794
1-azidohexyl 4-methylbenzenesulfonate
CID 170166994
4-(4-methylphenyl)-N-(2-methylpropyl)benzenesulfonamide
CID 70038697
N-[2,2-bis[(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 175193129
N-(1-iodohexan-2-yl)-4-methylbenzenesulfonamide
CID 11245994
4-(aminomethyl)-N-(2-ethylhexyl)benzenesulfonamide
CID 107816801
N-(2-bromo-2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 141352763
N-(4-amino-2-methylbutyl)-4-methylbenzenesulfonamide
CID 66092322
4-methyl-N-(2-methylnona-3,4-dienyl)benzenesulfonamide
CID 86098497
N-(1-aminohexan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
CID 119992961

Frequently Asked Questions

What is the IUPAC name of N-(2-azidohexyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(2-azidohexyl)-4-methylbenzenesulfonamide (CID 11266449) is N-(2-azidohexyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-azidohexyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2-azidohexyl)-4-methylbenzenesulfonamide is CCCCC(CNS(=O)(=O)c1ccc(C)cc1)N=[N+]=[N-].
What is the InChIKey of N-(2-azidohexyl)-4-methylbenzenesulfonamide?
The InChIKey is GBCYCRFFTSTXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-3-4-5-12(16-17-14)10-15-20(18,19)13-8-6-11(2)7-9-13/h6-9,12,15H,3-5,10H2,1-2H3.
What are the key properties of N-(2-azidohexyl)-4-methylbenzenesulfonamide?
N-(2-azidohexyl)-4-methylbenzenesulfonamide has a molecular weight of 296.40 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azidohexyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 11266449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).