1-phenyl-3-(4-piperidin-1-ylsulfonylphenyl)urea

C18H21N3O3S — CID 1011581

IUPAC1-phenyl-3-(4-piperidin-1-ylsulfonylphenyl)urea
SMILESO=C(Nc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C18H21N3O3S/c22-18(19-15-7-3-1-4-8-15)20-16-9-11-17(12-10-16)25(23,24)21-13-5-2-6-14-21/h1,3-4,7-12H,2,5-6,13-14H2,(H2,19,20,22)
InChIKeyRXHAPRMDOWLXLG-UHFFFAOYSA-N
MW359.45 g/mol
LogP3.51
Rot. Bonds4

About 1-phenyl-3-(4-piperidin-1-ylsulfonylphenyl)urea

1-phenyl-3-(4-piperidin-1-ylsulfonylphenyl)urea (PubChem CID 1011581) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 1-phenyl-3-(4-piperidin-1-ylsulfonylphenyl)urea.

Molecular Properties

Compound Name1-phenyl-3-(4-piperidin-1-ylsulfonylphenyl)urea
PubChem CID1011581
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name1-phenyl-3-(4-piperidin-1-ylsulfonylphenyl)urea
SMILESO=C(Nc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C18H21N3O3S/c22-18(19-15-7-3-1-4-8-15)20-16-9-11-17(12-10-16)25(23,24)21-13-5-2-6-14-21/h1,3-4,7-12H,2,5-6,13-14H2,(H2,19,20,22)
InChIKeyRXHAPRMDOWLXLG-UHFFFAOYSA-N
XLogP3.51
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(4-piperidin-1-ylsulfonylphenyl)urea?
The IUPAC name of 1-phenyl-3-(4-piperidin-1-ylsulfonylphenyl)urea (CID 1011581) is 1-phenyl-3-(4-piperidin-1-ylsulfonylphenyl)urea.
What is the SMILES notation for 1-phenyl-3-(4-piperidin-1-ylsulfonylphenyl)urea?
The canonical SMILES for 1-phenyl-3-(4-piperidin-1-ylsulfonylphenyl)urea is O=C(Nc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 1-phenyl-3-(4-piperidin-1-ylsulfonylphenyl)urea?
The InChIKey is RXHAPRMDOWLXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c22-18(19-15-7-3-1-4-8-15)20-16-9-11-17(12-10-16)25(23,24)21-13-5-2-6-14-21/h1,3-4,7-12H,2,5-6,13-14H2,(H2,19,20,22).
What are the key properties of 1-phenyl-3-(4-piperidin-1-ylsulfonylphenyl)urea?
1-phenyl-3-(4-piperidin-1-ylsulfonylphenyl)urea has a molecular weight of 359.45 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(4-piperidin-1-ylsulfonylphenyl)urea is sourced from PubChem (CID 1011581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).