5-iodonaphthalene-1-sulfonyl chloride

C10H6ClIO2S — CID 2759366

IUPAC5-iodonaphthalene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc2c(I)cccc12
InChIInChI=1S/C10H6ClIO2S/c11-15(13,14)10-6-2-3-7-8(10)4-1-5-9(7)12/h1-6H
InChIKeyHPGIIEANQDDHGE-UHFFFAOYSA-N
MW352.58 g/mol
LogP3.37
Rot. Bonds1

About 5-iodonaphthalene-1-sulfonyl chloride

5-iodonaphthalene-1-sulfonyl chloride (PubChem CID 2759366) has the molecular formula C10H6ClIO2S and a molecular weight of 352.58 g/mol. Its IUPAC name is 5-iodonaphthalene-1-sulfonyl chloride.

Molecular Properties

Compound Name5-iodonaphthalene-1-sulfonyl chloride
PubChem CID2759366
Molecular FormulaC10H6ClIO2S
Molecular Weight352.58 g/mol
Exact Mass351.88
IUPAC Name5-iodonaphthalene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc2c(I)cccc12
InChIInChI=1S/C10H6ClIO2S/c11-15(13,14)10-6-2-3-7-8(10)4-1-5-9(7)12/h1-6H
InChIKeyHPGIIEANQDDHGE-UHFFFAOYSA-N
XLogP3.37
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.58
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-iodo-2-(trifluoromethoxy)benzenesulfonyl chloride
CID 170998343
3-iodo-2-methylbenzenesulfonyl chloride
CID 112694305
N-cyclopropyl-5-iodonaphthalene-1-sulfonamide
CID 173069908
5-[2-(dimethylamino)ethyl-methylamino]naphthalene-1-sulfonyl chloride
CID 118611040
4-bromonaphthalene-1-sulfonyl chloride
CID 2757076
1-oxo-2H-isoquinoline-4-sulfonyl chloride
CID 86598072
5-[ethenyl(methyl)amino]naphthalene-1-sulfonyl chloride
CID 123694795
2-amino-5-iodonaphthalene-1-sulfonic acid
CID 163854442
1,5-Naphthalene disulfonic acid,sodium salt
CID 87069218
naphthalene-1,5-disulfonic acid;silver
CID 88762000
8-hydroxyquinoline-4-sulfonyl chloride
CID 55280284
5-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]naphthalene-1-sulfonyl chloride
CID 71401329

Frequently Asked Questions

What is the IUPAC name of 5-iodonaphthalene-1-sulfonyl chloride?
The IUPAC name of 5-iodonaphthalene-1-sulfonyl chloride (CID 2759366) is 5-iodonaphthalene-1-sulfonyl chloride.
What is the SMILES notation for 5-iodonaphthalene-1-sulfonyl chloride?
The canonical SMILES for 5-iodonaphthalene-1-sulfonyl chloride is O=S(=O)(Cl)c1cccc2c(I)cccc12.
What is the InChIKey of 5-iodonaphthalene-1-sulfonyl chloride?
The InChIKey is HPGIIEANQDDHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClIO2S/c11-15(13,14)10-6-2-3-7-8(10)4-1-5-9(7)12/h1-6H.
What are the key properties of 5-iodonaphthalene-1-sulfonyl chloride?
5-iodonaphthalene-1-sulfonyl chloride has a molecular weight of 352.58 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodonaphthalene-1-sulfonyl chloride is sourced from PubChem (CID 2759366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).