N-(3,5-dichlorophenyl)sulfanyl-6-methoxynaphthalen-1-amine

C17H13Cl2NOS — CID 143878951

IUPACN-(3,5-dichlorophenyl)sulfanyl-6-methoxynaphthalen-1-amine
SMILESCOc1ccc2c(NSc3cc(Cl)cc(Cl)c3)cccc2c1
InChIInChI=1S/C17H13Cl2NOS/c1-21-14-5-6-16-11(7-14)3-2-4-17(16)20-22-15-9-12(18)8-13(19)10-15/h2-10,20H,1H3
InChIKeyMNEFQMVOUPGQJR-UHFFFAOYSA-N
MW350.27 g/mol
LogP6.27
Rot. Bonds4

About N-(3,5-dichlorophenyl)sulfanyl-6-methoxynaphthalen-1-amine

N-(3,5-dichlorophenyl)sulfanyl-6-methoxynaphthalen-1-amine (PubChem CID 143878951) has the molecular formula C17H13Cl2NOS and a molecular weight of 350.27 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)sulfanyl-6-methoxynaphthalen-1-amine.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)sulfanyl-6-methoxynaphthalen-1-amine
PubChem CID143878951
Molecular FormulaC17H13Cl2NOS
Molecular Weight350.27 g/mol
Exact Mass349.01
IUPAC NameN-(3,5-dichlorophenyl)sulfanyl-6-methoxynaphthalen-1-amine
SMILESCOc1ccc2c(NSc3cc(Cl)cc(Cl)c3)cccc2c1
InChIInChI=1S/C17H13Cl2NOS/c1-21-14-5-6-16-11(7-14)3-2-4-17(16)20-22-15-9-12(18)8-13(19)10-15/h2-10,20H,1H3
InChIKeyMNEFQMVOUPGQJR-UHFFFAOYSA-N
XLogP6.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.27
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)sulfanyl-6-methoxynaphthalen-1-amine?
The IUPAC name of N-(3,5-dichlorophenyl)sulfanyl-6-methoxynaphthalen-1-amine (CID 143878951) is N-(3,5-dichlorophenyl)sulfanyl-6-methoxynaphthalen-1-amine.
What is the SMILES notation for N-(3,5-dichlorophenyl)sulfanyl-6-methoxynaphthalen-1-amine?
The canonical SMILES for N-(3,5-dichlorophenyl)sulfanyl-6-methoxynaphthalen-1-amine is COc1ccc2c(NSc3cc(Cl)cc(Cl)c3)cccc2c1.
What is the InChIKey of N-(3,5-dichlorophenyl)sulfanyl-6-methoxynaphthalen-1-amine?
The InChIKey is MNEFQMVOUPGQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2NOS/c1-21-14-5-6-16-11(7-14)3-2-4-17(16)20-22-15-9-12(18)8-13(19)10-15/h2-10,20H,1H3.
What are the key properties of N-(3,5-dichlorophenyl)sulfanyl-6-methoxynaphthalen-1-amine?
N-(3,5-dichlorophenyl)sulfanyl-6-methoxynaphthalen-1-amine has a molecular weight of 350.27 g/mol, XLogP of 6.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)sulfanyl-6-methoxynaphthalen-1-amine is sourced from PubChem (CID 143878951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).