N-cyclopropyl-5-iodonaphthalene-1-sulfonamide

C13H12INO2S — CID 173069908

IUPACN-cyclopropyl-5-iodonaphthalene-1-sulfonamide
SMILESO=S(=O)(NC1CC1)c1cccc2c(I)cccc12
InChIInChI=1S/C13H12INO2S/c14-12-5-1-4-11-10(12)3-2-6-13(11)18(16,17)15-9-7-8-9/h1-6,9,15H,7-8H2
InChIKeyFCPXMMKALBJOOB-UHFFFAOYSA-N
MW373.22 g/mol
LogP2.89
Rot. Bonds3

About N-cyclopropyl-5-iodonaphthalene-1-sulfonamide

N-cyclopropyl-5-iodonaphthalene-1-sulfonamide (PubChem CID 173069908) has the molecular formula C13H12INO2S and a molecular weight of 373.22 g/mol. Its IUPAC name is N-cyclopropyl-5-iodonaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-5-iodonaphthalene-1-sulfonamide
PubChem CID173069908
Molecular FormulaC13H12INO2S
Molecular Weight373.22 g/mol
Exact Mass372.96
IUPAC NameN-cyclopropyl-5-iodonaphthalene-1-sulfonamide
SMILESO=S(=O)(NC1CC1)c1cccc2c(I)cccc12
InChIInChI=1S/C13H12INO2S/c14-12-5-1-4-11-10(12)3-2-6-13(11)18(16,17)15-9-7-8-9/h1-6,9,15H,7-8H2
InChIKeyFCPXMMKALBJOOB-UHFFFAOYSA-N
XLogP2.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.22
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-iodonaphthalene-1-sulfonamide?
The IUPAC name of N-cyclopropyl-5-iodonaphthalene-1-sulfonamide (CID 173069908) is N-cyclopropyl-5-iodonaphthalene-1-sulfonamide.
What is the SMILES notation for N-cyclopropyl-5-iodonaphthalene-1-sulfonamide?
The canonical SMILES for N-cyclopropyl-5-iodonaphthalene-1-sulfonamide is O=S(=O)(NC1CC1)c1cccc2c(I)cccc12.
What is the InChIKey of N-cyclopropyl-5-iodonaphthalene-1-sulfonamide?
The InChIKey is FCPXMMKALBJOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12INO2S/c14-12-5-1-4-11-10(12)3-2-6-13(11)18(16,17)15-9-7-8-9/h1-6,9,15H,7-8H2.
What are the key properties of N-cyclopropyl-5-iodonaphthalene-1-sulfonamide?
N-cyclopropyl-5-iodonaphthalene-1-sulfonamide has a molecular weight of 373.22 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-iodonaphthalene-1-sulfonamide is sourced from PubChem (CID 173069908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).