N-(3-azidopropyl)-1-(2-cyanophenyl)methanesulfonamide

C11H13N5O2S — CID 61344906

IUPACN-(3-azidopropyl)-1-(2-cyanophenyl)methanesulfonamide
SMILESN#Cc1ccccc1CS(=O)(=O)NCCCN=[N+]=[N-]
InChIInChI=1S/C11H13N5O2S/c12-8-10-4-1-2-5-11(10)9-19(17,18)15-7-3-6-14-16-13/h1-2,4-5,15H,3,6-7,9H2
InChIKeyTUVGNBXLMWZHNI-UHFFFAOYSA-N
MW279.32 g/mol
LogP1.68
Rot. Bonds7

About N-(3-azidopropyl)-1-(2-cyanophenyl)methanesulfonamide

N-(3-azidopropyl)-1-(2-cyanophenyl)methanesulfonamide (PubChem CID 61344906) has the molecular formula C11H13N5O2S and a molecular weight of 279.32 g/mol. Its IUPAC name is N-(3-azidopropyl)-1-(2-cyanophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-azidopropyl)-1-(2-cyanophenyl)methanesulfonamide
PubChem CID61344906
Molecular FormulaC11H13N5O2S
Molecular Weight279.32 g/mol
Exact Mass279.08
IUPAC NameN-(3-azidopropyl)-1-(2-cyanophenyl)methanesulfonamide
SMILESN#Cc1ccccc1CS(=O)(=O)NCCCN=[N+]=[N-]
InChIInChI=1S/C11H13N5O2S/c12-8-10-4-1-2-5-11(10)9-19(17,18)15-7-3-6-14-16-13/h1-2,4-5,15H,3,6-7,9H2
InChIKeyTUVGNBXLMWZHNI-UHFFFAOYSA-N
XLogP1.68
TPSA118.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.68
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)-2-cyanobenzenesulfonamide
CID 61344901
3-[(2-cyanophenyl)methylsulfonylamino]propanamide
CID 43553730
1-(2-cyanophenyl)-N-(2-cyclopentylethyl)methanesulfonamide
CID 60733971
1-(2-cyanophenyl)-N-(2-pyridin-3-ylethyl)methanesulfonamide
CID 60729368
1-(2-cyanophenyl)-N-[2-(cyclopenten-1-yl)ethyl]methanesulfonamide
CID 103844643
N-[3-[(2-cyanophenyl)methylamino]propyl]methanesulfonamide
CID 103616089
1-(2-cyanophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]methanesulfonamide
CID 65231409
1-(2-cyanophenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]methanesulfonamide
CID 104972605
1-(2-cyanophenyl)-N-(2,2,2-trifluoroethoxy)methanesulfonamide
CID 82714915
1-(2-cyanophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)methanesulfonamide
CID 115360457
N-(6-bromo-2-pyridinyl)-1-(2-cyanophenyl)methanesulfonamide
CID 43520677
1-(2-cyanophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide
CID 61068746

Frequently Asked Questions

What is the IUPAC name of N-(3-azidopropyl)-1-(2-cyanophenyl)methanesulfonamide?
The IUPAC name of N-(3-azidopropyl)-1-(2-cyanophenyl)methanesulfonamide (CID 61344906) is N-(3-azidopropyl)-1-(2-cyanophenyl)methanesulfonamide.
What is the SMILES notation for N-(3-azidopropyl)-1-(2-cyanophenyl)methanesulfonamide?
The canonical SMILES for N-(3-azidopropyl)-1-(2-cyanophenyl)methanesulfonamide is N#Cc1ccccc1CS(=O)(=O)NCCCN=[N+]=[N-].
What is the InChIKey of N-(3-azidopropyl)-1-(2-cyanophenyl)methanesulfonamide?
The InChIKey is TUVGNBXLMWZHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2S/c12-8-10-4-1-2-5-11(10)9-19(17,18)15-7-3-6-14-16-13/h1-2,4-5,15H,3,6-7,9H2.
What are the key properties of N-(3-azidopropyl)-1-(2-cyanophenyl)methanesulfonamide?
N-(3-azidopropyl)-1-(2-cyanophenyl)methanesulfonamide has a molecular weight of 279.32 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azidopropyl)-1-(2-cyanophenyl)methanesulfonamide is sourced from PubChem (CID 61344906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).