4-azido-N-hexylbenzenesulfonamide

C12H18N4O2S — CID 169325897

IUPAC4-azido-N-hexylbenzenesulfonamide
SMILESCCCCCCNS(=O)(=O)c1ccc(N=[N+]=[N-])cc1
InChIInChI=1S/C12H18N4O2S/c1-2-3-4-5-10-14-19(17,18)12-8-6-11(7-9-12)15-16-13/h6-9,14H,2-5,10H2,1H3
InChIKeyGOXZVYITOKMPAI-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.49
Rot. Bonds8

About 4-azido-N-hexylbenzenesulfonamide

4-azido-N-hexylbenzenesulfonamide (PubChem CID 169325897) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is 4-azido-N-hexylbenzenesulfonamide.

Molecular Properties

Compound Name4-azido-N-hexylbenzenesulfonamide
PubChem CID169325897
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name4-azido-N-hexylbenzenesulfonamide
SMILESCCCCCCNS(=O)(=O)c1ccc(N=[N+]=[N-])cc1
InChIInChI=1S/C12H18N4O2S/c1-2-3-4-5-10-14-19(17,18)12-8-6-11(7-9-12)15-16-13/h6-9,14H,2-5,10H2,1H3
InChIKeyGOXZVYITOKMPAI-UHFFFAOYSA-N
XLogP3.49
TPSA94.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.49
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

4-ethyl-N-hexylbenzenesulfonamide
CID 19681236
N-[2-(2-aminoethyldisulfanyl)ethyl]-4-azidobenzenesulfonamide
CID 19609016
N-tridecylbenzenesulfonamide
CID 3514704
4-butoxy-N-pentylbenzenesulfonamide
CID 139844176
4-amino-N-octadecylbenzenesulfonamide;hydrochloride
CID 45050161
N-(4-azidobutyl)-4-propylbenzenesulfonamide
CID 114182224
N-pentyl-4-phenylbenzenesulfonamide
CID 3666440
4-(cyanomethyl)-N-hexylbenzenesulfonamide
CID 79195889
4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
CID 12715316
5-amino-1-N,3-N-didodecylbenzene-1,3-disulfonamide
CID 91728635
2-N,7-N-dioctadecyl-9-oxofluorene-2,7-disulfonamide
CID 3417830
4-(1-aminoethyl)-N-pentylbenzenesulfonamide
CID 43095770

Frequently Asked Questions

What is the IUPAC name of 4-azido-N-hexylbenzenesulfonamide?
The IUPAC name of 4-azido-N-hexylbenzenesulfonamide (CID 169325897) is 4-azido-N-hexylbenzenesulfonamide.
What is the SMILES notation for 4-azido-N-hexylbenzenesulfonamide?
The canonical SMILES for 4-azido-N-hexylbenzenesulfonamide is CCCCCCNS(=O)(=O)c1ccc(N=[N+]=[N-])cc1.
What is the InChIKey of 4-azido-N-hexylbenzenesulfonamide?
The InChIKey is GOXZVYITOKMPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-2-3-4-5-10-14-19(17,18)12-8-6-11(7-9-12)15-16-13/h6-9,14H,2-5,10H2,1H3.
What are the key properties of 4-azido-N-hexylbenzenesulfonamide?
4-azido-N-hexylbenzenesulfonamide has a molecular weight of 282.37 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-N-hexylbenzenesulfonamide is sourced from PubChem (CID 169325897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).