N-(6-chloro-2-iodo-3-pyridinyl)naphthalene-1-sulfonamide

C15H10ClIN2O2S — CID 87538260

IUPACN-(6-chloro-2-iodo-3-pyridinyl)naphthalene-1-sulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)nc1I)c1cccc2ccccc12
InChIInChI=1S/C15H10ClIN2O2S/c16-14-9-8-12(15(17)18-14)19-22(20,21)13-7-3-5-10-4-1-2-6-11(10)13/h1-9,19H
InChIKeyRYMIRXOGAFSMEC-UHFFFAOYSA-N
MW444.68 g/mol
LogP4.29
Rot. Bonds3

About N-(6-chloro-2-iodo-3-pyridinyl)naphthalene-1-sulfonamide

N-(6-chloro-2-iodo-3-pyridinyl)naphthalene-1-sulfonamide (PubChem CID 87538260) has the molecular formula C15H10ClIN2O2S and a molecular weight of 444.68 g/mol. Its IUPAC name is N-(6-chloro-2-iodo-3-pyridinyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(6-chloro-2-iodo-3-pyridinyl)naphthalene-1-sulfonamide
PubChem CID87538260
Molecular FormulaC15H10ClIN2O2S
Molecular Weight444.68 g/mol
Exact Mass443.92
IUPAC NameN-(6-chloro-2-iodo-3-pyridinyl)naphthalene-1-sulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)nc1I)c1cccc2ccccc12
InChIInChI=1S/C15H10ClIN2O2S/c16-14-9-8-12(15(17)18-14)19-22(20,21)13-7-3-5-10-4-1-2-6-11(10)13/h1-9,19H
InChIKeyRYMIRXOGAFSMEC-UHFFFAOYSA-N
XLogP4.29
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.68
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-iodo-3-pyridinyl)naphthalene-1-sulfonamide?
The IUPAC name of N-(6-chloro-2-iodo-3-pyridinyl)naphthalene-1-sulfonamide (CID 87538260) is N-(6-chloro-2-iodo-3-pyridinyl)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(6-chloro-2-iodo-3-pyridinyl)naphthalene-1-sulfonamide?
The canonical SMILES for N-(6-chloro-2-iodo-3-pyridinyl)naphthalene-1-sulfonamide is O=S(=O)(Nc1ccc(Cl)nc1I)c1cccc2ccccc12.
What is the InChIKey of N-(6-chloro-2-iodo-3-pyridinyl)naphthalene-1-sulfonamide?
The InChIKey is RYMIRXOGAFSMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClIN2O2S/c16-14-9-8-12(15(17)18-14)19-22(20,21)13-7-3-5-10-4-1-2-6-11(10)13/h1-9,19H.
What are the key properties of N-(6-chloro-2-iodo-3-pyridinyl)naphthalene-1-sulfonamide?
N-(6-chloro-2-iodo-3-pyridinyl)naphthalene-1-sulfonamide has a molecular weight of 444.68 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-iodo-3-pyridinyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 87538260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).