2-phenoxy-5-piperidin-1-ylsulfonylaniline

C17H20N2O3S — CID 3853257

IUPAC2-phenoxy-5-piperidin-1-ylsulfonylaniline
SMILESNc1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1ccccc1
InChIInChI=1S/C17H20N2O3S/c18-16-13-15(23(20,21)19-11-5-2-6-12-19)9-10-17(16)22-14-7-3-1-4-8-14/h1,3-4,7-10,13H,2,5-6,11-12,18H2
InChIKeyRKAQPEOPGRLOMK-UHFFFAOYSA-N
MW332.43 g/mol
LogP3.24
Rot. Bonds4

About 2-phenoxy-5-piperidin-1-ylsulfonylaniline

2-phenoxy-5-piperidin-1-ylsulfonylaniline (PubChem CID 3853257) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-phenoxy-5-piperidin-1-ylsulfonylaniline.

Molecular Properties

Compound Name2-phenoxy-5-piperidin-1-ylsulfonylaniline
PubChem CID3853257
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name2-phenoxy-5-piperidin-1-ylsulfonylaniline
SMILESNc1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1ccccc1
InChIInChI=1S/C17H20N2O3S/c18-16-13-15(23(20,21)19-11-5-2-6-12-19)9-10-17(16)22-14-7-3-1-4-8-14/h1,3-4,7-10,13H,2,5-6,11-12,18H2
InChIKeyRKAQPEOPGRLOMK-UHFFFAOYSA-N
XLogP3.24
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.24
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 2-phenoxy-5-piperidin-1-ylsulfonylaniline?
The IUPAC name of 2-phenoxy-5-piperidin-1-ylsulfonylaniline (CID 3853257) is 2-phenoxy-5-piperidin-1-ylsulfonylaniline.
What is the SMILES notation for 2-phenoxy-5-piperidin-1-ylsulfonylaniline?
The canonical SMILES for 2-phenoxy-5-piperidin-1-ylsulfonylaniline is Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1ccccc1.
What is the InChIKey of 2-phenoxy-5-piperidin-1-ylsulfonylaniline?
The InChIKey is RKAQPEOPGRLOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c18-16-13-15(23(20,21)19-11-5-2-6-12-19)9-10-17(16)22-14-7-3-1-4-8-14/h1,3-4,7-10,13H,2,5-6,11-12,18H2.
What are the key properties of 2-phenoxy-5-piperidin-1-ylsulfonylaniline?
2-phenoxy-5-piperidin-1-ylsulfonylaniline has a molecular weight of 332.43 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-5-piperidin-1-ylsulfonylaniline is sourced from PubChem (CID 3853257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).