4-(3-chlorophenyl)sulfanyl-2-ethoxyaniline

C14H14ClNOS — CID 63677822

IUPAC4-(3-chlorophenyl)sulfanyl-2-ethoxyaniline
SMILESCCOc1cc(Sc2cccc(Cl)c2)ccc1N
InChIInChI=1S/C14H14ClNOS/c1-2-17-14-9-12(6-7-13(14)16)18-11-5-3-4-10(15)8-11/h3-9H,2,16H2,1H3
InChIKeyJVKVCPZBQOJNFH-UHFFFAOYSA-N
MW279.79 g/mol
LogP4.47
Rot. Bonds4

About 4-(3-chlorophenyl)sulfanyl-2-ethoxyaniline

4-(3-chlorophenyl)sulfanyl-2-ethoxyaniline (PubChem CID 63677822) has the molecular formula C14H14ClNOS and a molecular weight of 279.79 g/mol. Its IUPAC name is 4-(3-chlorophenyl)sulfanyl-2-ethoxyaniline.

Molecular Properties

Compound Name4-(3-chlorophenyl)sulfanyl-2-ethoxyaniline
PubChem CID63677822
Molecular FormulaC14H14ClNOS
Molecular Weight279.79 g/mol
Exact Mass279.05
IUPAC Name4-(3-chlorophenyl)sulfanyl-2-ethoxyaniline
SMILESCCOc1cc(Sc2cccc(Cl)c2)ccc1N
InChIInChI=1S/C14H14ClNOS/c1-2-17-14-9-12(6-7-13(14)16)18-11-5-3-4-10(15)8-11/h3-9H,2,16H2,1H3
InChIKeyJVKVCPZBQOJNFH-UHFFFAOYSA-N
XLogP4.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.79
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)sulfanyl-2-ethoxyaniline?
The IUPAC name of 4-(3-chlorophenyl)sulfanyl-2-ethoxyaniline (CID 63677822) is 4-(3-chlorophenyl)sulfanyl-2-ethoxyaniline.
What is the SMILES notation for 4-(3-chlorophenyl)sulfanyl-2-ethoxyaniline?
The canonical SMILES for 4-(3-chlorophenyl)sulfanyl-2-ethoxyaniline is CCOc1cc(Sc2cccc(Cl)c2)ccc1N.
What is the InChIKey of 4-(3-chlorophenyl)sulfanyl-2-ethoxyaniline?
The InChIKey is JVKVCPZBQOJNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNOS/c1-2-17-14-9-12(6-7-13(14)16)18-11-5-3-4-10(15)8-11/h3-9H,2,16H2,1H3.
What are the key properties of 4-(3-chlorophenyl)sulfanyl-2-ethoxyaniline?
4-(3-chlorophenyl)sulfanyl-2-ethoxyaniline has a molecular weight of 279.79 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)sulfanyl-2-ethoxyaniline is sourced from PubChem (CID 63677822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).