4-[4-(diethylamino)phenyl]sulfonylaniline

C16H20N2O2S — CID 23275759

IUPAC4-[4-(diethylamino)phenyl]sulfonylaniline
SMILESCCN(CC)c1ccc(S(=O)(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C16H20N2O2S/c1-3-18(4-2)14-7-11-16(12-8-14)21(19,20)15-9-5-13(17)6-10-15/h5-12H,3-4,17H2,1-2H3
InChIKeyRPJZLSHJWIFXHY-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.95
Rot. Bonds5

About 4-[4-(diethylamino)phenyl]sulfonylaniline

4-[4-(diethylamino)phenyl]sulfonylaniline (PubChem CID 23275759) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-[4-(diethylamino)phenyl]sulfonylaniline.

Molecular Properties

Compound Name4-[4-(diethylamino)phenyl]sulfonylaniline
PubChem CID23275759
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name4-[4-(diethylamino)phenyl]sulfonylaniline
SMILESCCN(CC)c1ccc(S(=O)(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C16H20N2O2S/c1-3-18(4-2)14-7-11-16(12-8-14)21(19,20)15-9-5-13(17)6-10-15/h5-12H,3-4,17H2,1-2H3
InChIKeyRPJZLSHJWIFXHY-UHFFFAOYSA-N
XLogP2.95
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[4-(diethylamino)phenyl]sulfonylaniline?
The IUPAC name of 4-[4-(diethylamino)phenyl]sulfonylaniline (CID 23275759) is 4-[4-(diethylamino)phenyl]sulfonylaniline.
What is the SMILES notation for 4-[4-(diethylamino)phenyl]sulfonylaniline?
The canonical SMILES for 4-[4-(diethylamino)phenyl]sulfonylaniline is CCN(CC)c1ccc(S(=O)(=O)c2ccc(N)cc2)cc1.
What is the InChIKey of 4-[4-(diethylamino)phenyl]sulfonylaniline?
The InChIKey is RPJZLSHJWIFXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-3-18(4-2)14-7-11-16(12-8-14)21(19,20)15-9-5-13(17)6-10-15/h5-12H,3-4,17H2,1-2H3.
What are the key properties of 4-[4-(diethylamino)phenyl]sulfonylaniline?
4-[4-(diethylamino)phenyl]sulfonylaniline has a molecular weight of 304.42 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(diethylamino)phenyl]sulfonylaniline is sourced from PubChem (CID 23275759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).