6-azidonaphthalene-1-sulfonyl chloride

C10H6ClN3O2S — CID 146049283

IUPAC6-azidonaphthalene-1-sulfonyl chloride
SMILES[N-]=[N+]=Nc1ccc2c(S(=O)(=O)Cl)cccc2c1
InChIInChI=1S/C10H6ClN3O2S/c11-17(15,16)10-3-1-2-7-6-8(13-14-12)4-5-9(7)10/h1-6H
InChIKeySURWXJJVERSDEY-UHFFFAOYSA-N
MW267.70 g/mol
LogP3.71
Rot. Bonds2

About 6-azidonaphthalene-1-sulfonyl chloride

6-azidonaphthalene-1-sulfonyl chloride (PubChem CID 146049283) has the molecular formula C10H6ClN3O2S and a molecular weight of 267.70 g/mol. Its IUPAC name is 6-azidonaphthalene-1-sulfonyl chloride.

Molecular Properties

Compound Name6-azidonaphthalene-1-sulfonyl chloride
PubChem CID146049283
Molecular FormulaC10H6ClN3O2S
Molecular Weight267.70 g/mol
Exact Mass266.99
IUPAC Name6-azidonaphthalene-1-sulfonyl chloride
SMILES[N-]=[N+]=Nc1ccc2c(S(=O)(=O)Cl)cccc2c1
InChIInChI=1S/C10H6ClN3O2S/c11-17(15,16)10-3-1-2-7-6-8(13-14-12)4-5-9(7)10/h1-6H
InChIKeySURWXJJVERSDEY-UHFFFAOYSA-N
XLogP3.71
TPSA82.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.70
LogP ≤ 53.71
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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Frequently Asked Questions

What is the IUPAC name of 6-azidonaphthalene-1-sulfonyl chloride?
The IUPAC name of 6-azidonaphthalene-1-sulfonyl chloride (CID 146049283) is 6-azidonaphthalene-1-sulfonyl chloride.
What is the SMILES notation for 6-azidonaphthalene-1-sulfonyl chloride?
The canonical SMILES for 6-azidonaphthalene-1-sulfonyl chloride is [N-]=[N+]=Nc1ccc2c(S(=O)(=O)Cl)cccc2c1.
What is the InChIKey of 6-azidonaphthalene-1-sulfonyl chloride?
The InChIKey is SURWXJJVERSDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN3O2S/c11-17(15,16)10-3-1-2-7-6-8(13-14-12)4-5-9(7)10/h1-6H.
What are the key properties of 6-azidonaphthalene-1-sulfonyl chloride?
6-azidonaphthalene-1-sulfonyl chloride has a molecular weight of 267.70 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azidonaphthalene-1-sulfonyl chloride is sourced from PubChem (CID 146049283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).