2-(2-azidoethylsulfonyl)naphthalene

C12H11N3O2S — CID 61396912

IUPAC2-(2-azidoethylsulfonyl)naphthalene
SMILES[N-]=[N+]=NCCS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C12H11N3O2S/c13-15-14-7-8-18(16,17)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8H2
InChIKeyWTLBZACNHJSSEP-UHFFFAOYSA-N
MW261.31 g/mol
LogP2.92
Rot. Bonds4

About 2-(2-azidoethylsulfonyl)naphthalene

2-(2-azidoethylsulfonyl)naphthalene (PubChem CID 61396912) has the molecular formula C12H11N3O2S and a molecular weight of 261.31 g/mol. Its IUPAC name is 2-(2-azidoethylsulfonyl)naphthalene.

Molecular Properties

Compound Name2-(2-azidoethylsulfonyl)naphthalene
PubChem CID61396912
Molecular FormulaC12H11N3O2S
Molecular Weight261.31 g/mol
Exact Mass261.06
IUPAC Name2-(2-azidoethylsulfonyl)naphthalene
SMILES[N-]=[N+]=NCCS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C12H11N3O2S/c13-15-14-7-8-18(16,17)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8H2
InChIKeyWTLBZACNHJSSEP-UHFFFAOYSA-N
XLogP2.92
TPSA82.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 52.92
H-Bond Donors ≤ 50
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'}

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Related Compounds

1-(2-azidoethylsulfonyl)-3-methylbenzene
CID 55138777
1-(2-azidoethylsulfonyl)-4-bromobenzene
CID 61374961
3-naphthalen-2-ylsulfonylpropane-1-sulfonamide
CID 56801860
4-(2-azidoethylsulfonyl)-2-chloro-1-fluorobenzene
CID 61396929
4-(3-azidopropylsulfonyl)-1,2-difluorobenzene
CID 61397032
6-naphthalen-2-ylsulfonylhexan-2-one
CID 64642402
2-(2-azidoethylsulfanyl)naphthalene
CID 55220418
1-(3-azidopropylsulfonyl)-4-methylbenzene
CID 61397135
5-(3-azidopropylsulfonyl)-2,3-dihydro-1H-indene
CID 61397011
naphthalene-2-sulfonic acid
CID 8420
7-naphthalen-2-ylsulfonylhept-1-en-3-one
CID 58338825
N,N-diethyl-2-naphthalen-2-ylsulfonylacetamide
CID 56731913

Frequently Asked Questions

What is the IUPAC name of 2-(2-azidoethylsulfonyl)naphthalene?
The IUPAC name of 2-(2-azidoethylsulfonyl)naphthalene (CID 61396912) is 2-(2-azidoethylsulfonyl)naphthalene.
What is the SMILES notation for 2-(2-azidoethylsulfonyl)naphthalene?
The canonical SMILES for 2-(2-azidoethylsulfonyl)naphthalene is [N-]=[N+]=NCCS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of 2-(2-azidoethylsulfonyl)naphthalene?
The InChIKey is WTLBZACNHJSSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S/c13-15-14-7-8-18(16,17)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8H2.
What are the key properties of 2-(2-azidoethylsulfonyl)naphthalene?
2-(2-azidoethylsulfonyl)naphthalene has a molecular weight of 261.31 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azidoethylsulfonyl)naphthalene is sourced from PubChem (CID 61396912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).