1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-3-(4-methylphenyl)urea

C19H22FN3O3S — CID 1433021

IUPAC1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NC2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C19H22FN3O3S/c1-14-2-6-16(7-3-14)21-19(24)22-17-10-12-23(13-11-17)27(25,26)18-8-4-15(20)5-9-18/h2-9,17H,10-13H2,1H3,(H2,21,22,24)
InChIKeyUHKSTGCVFVHQMF-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.11
Rot. Bonds4

About 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-3-(4-methylphenyl)urea

1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-3-(4-methylphenyl)urea (PubChem CID 1433021) has the molecular formula C19H22FN3O3S and a molecular weight of 391.47 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-3-(4-methylphenyl)urea
PubChem CID1433021
Molecular FormulaC19H22FN3O3S
Molecular Weight391.47 g/mol
Exact Mass391.14
IUPAC Name1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NC2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C19H22FN3O3S/c1-14-2-6-16(7-3-14)21-19(24)22-17-10-12-23(13-11-17)27(25,26)18-8-4-15(20)5-9-18/h2-9,17H,10-13H2,1H3,(H2,21,22,24)
InChIKeyUHKSTGCVFVHQMF-UHFFFAOYSA-N
XLogP3.11
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-3-(4-methylphenyl)urea (CID 1433021) is 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)NC2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-3-(4-methylphenyl)urea?
The InChIKey is UHKSTGCVFVHQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3S/c1-14-2-6-16(7-3-14)21-19(24)22-17-10-12-23(13-11-17)27(25,26)18-8-4-15(20)5-9-18/h2-9,17H,10-13H2,1H3,(H2,21,22,24).
What are the key properties of 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-3-(4-methylphenyl)urea?
1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-3-(4-methylphenyl)urea has a molecular weight of 391.47 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 1433021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).