N-(3-azidopropyl)-2-cyanobenzenesulfonamide

C10H11N5O2S — CID 61344901

IUPACN-(3-azidopropyl)-2-cyanobenzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)NCCCN=[N+]=[N-]
InChIInChI=1S/C10H11N5O2S/c11-8-9-4-1-2-5-10(9)18(16,17)14-7-3-6-13-15-12/h1-2,4-5,14H,3,6-7H2
InChIKeyLORQXZMRBQXUIP-UHFFFAOYSA-N
MW265.30 g/mol
LogP1.54
Rot. Bonds6

About N-(3-azidopropyl)-2-cyanobenzenesulfonamide

N-(3-azidopropyl)-2-cyanobenzenesulfonamide (PubChem CID 61344901) has the molecular formula C10H11N5O2S and a molecular weight of 265.30 g/mol. Its IUPAC name is N-(3-azidopropyl)-2-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-azidopropyl)-2-cyanobenzenesulfonamide
PubChem CID61344901
Molecular FormulaC10H11N5O2S
Molecular Weight265.30 g/mol
Exact Mass265.06
IUPAC NameN-(3-azidopropyl)-2-cyanobenzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)NCCCN=[N+]=[N-]
InChIInChI=1S/C10H11N5O2S/c11-8-9-4-1-2-5-10(9)18(16,17)14-7-3-6-13-15-12/h1-2,4-5,14H,3,6-7H2
InChIKeyLORQXZMRBQXUIP-UHFFFAOYSA-N
XLogP1.54
TPSA118.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-1-(2-cyanophenyl)methanesulfonamide
CID 61344906
2-cyano-N-(6-hydroxyhexyl)benzenesulfonamide
CID 103918399
2-cyano-N-(2-phenylethyl)benzenesulfonamide
CID 3500877
2-cyano-N-prop-2-ynylbenzenesulfonamide
CID 9356113
N-(3-azidopropyl)-2-chloro-4-nitrobenzenesulfonamide
CID 61345066
4-[(2-cyanophenyl)sulfonylamino]-N-cyclopropylbutanamide
CID 79380052
2-cyano-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 2572565
2-cyano-N-[2-[ethyl(propyl)amino]ethyl]benzenesulfonamide
CID 103836681
2-cyano-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 24710652
2-cyano-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 61061706
N-(3-azidopropyl)-4-chlorobenzenesulfonamide
CID 61342719
2-cyano-N-[2-(2-ethoxyphenyl)ethyl]benzenesulfonamide
CID 3764247

Frequently Asked Questions

What is the IUPAC name of N-(3-azidopropyl)-2-cyanobenzenesulfonamide?
The IUPAC name of N-(3-azidopropyl)-2-cyanobenzenesulfonamide (CID 61344901) is N-(3-azidopropyl)-2-cyanobenzenesulfonamide.
What is the SMILES notation for N-(3-azidopropyl)-2-cyanobenzenesulfonamide?
The canonical SMILES for N-(3-azidopropyl)-2-cyanobenzenesulfonamide is N#Cc1ccccc1S(=O)(=O)NCCCN=[N+]=[N-].
What is the InChIKey of N-(3-azidopropyl)-2-cyanobenzenesulfonamide?
The InChIKey is LORQXZMRBQXUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2S/c11-8-9-4-1-2-5-10(9)18(16,17)14-7-3-6-13-15-12/h1-2,4-5,14H,3,6-7H2.
What are the key properties of N-(3-azidopropyl)-2-cyanobenzenesulfonamide?
N-(3-azidopropyl)-2-cyanobenzenesulfonamide has a molecular weight of 265.30 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azidopropyl)-2-cyanobenzenesulfonamide is sourced from PubChem (CID 61344901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).