4-(benzenesulfinyl)-N-ethylaniline

C14H15NOS — CID 53343998

IUPAC4-(benzenesulfinyl)-N-ethylaniline
SMILESCCNc1ccc(S(=O)c2ccccc2)cc1
InChIInChI=1S/C14H15NOS/c1-2-15-12-8-10-14(11-9-12)17(16)13-6-4-3-5-7-13/h3-11,15H,2H2,1H3
InChIKeyXYHBWRIRSFDVFH-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.29
Rot. Bonds4

About 4-(benzenesulfinyl)-N-ethylaniline

4-(benzenesulfinyl)-N-ethylaniline (PubChem CID 53343998) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is 4-(benzenesulfinyl)-N-ethylaniline.

Molecular Properties

Compound Name4-(benzenesulfinyl)-N-ethylaniline
PubChem CID53343998
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name4-(benzenesulfinyl)-N-ethylaniline
SMILESCCNc1ccc(S(=O)c2ccccc2)cc1
InChIInChI=1S/C14H15NOS/c1-2-15-12-8-10-14(11-9-12)17(16)13-6-4-3-5-7-13/h3-11,15H,2H2,1H3
InChIKeyXYHBWRIRSFDVFH-UHFFFAOYSA-N
XLogP3.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfinyl)-N-ethylaniline?
The IUPAC name of 4-(benzenesulfinyl)-N-ethylaniline (CID 53343998) is 4-(benzenesulfinyl)-N-ethylaniline.
What is the SMILES notation for 4-(benzenesulfinyl)-N-ethylaniline?
The canonical SMILES for 4-(benzenesulfinyl)-N-ethylaniline is CCNc1ccc(S(=O)c2ccccc2)cc1.
What is the InChIKey of 4-(benzenesulfinyl)-N-ethylaniline?
The InChIKey is XYHBWRIRSFDVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c1-2-15-12-8-10-14(11-9-12)17(16)13-6-4-3-5-7-13/h3-11,15H,2H2,1H3.
What are the key properties of 4-(benzenesulfinyl)-N-ethylaniline?
4-(benzenesulfinyl)-N-ethylaniline has a molecular weight of 245.35 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfinyl)-N-ethylaniline is sourced from PubChem (CID 53343998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).