1-[(4-fluorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)urea

C19H22FN3O3S — CID 66610805

IUPAC1-[(4-fluorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)urea
SMILESO=C(NCc1ccc(F)cc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H22FN3O3S/c20-16-6-4-15(5-7-16)14-21-19(24)22-17-8-10-18(11-9-17)27(25,26)23-12-2-1-3-13-23/h4-11H,1-3,12-14H2,(H2,21,22,24)
InChIKeyUIJXNYLEYQRTSV-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.32
Rot. Bonds5

About 1-[(4-fluorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)urea

1-[(4-fluorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)urea (PubChem CID 66610805) has the molecular formula C19H22FN3O3S and a molecular weight of 391.47 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)urea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)urea
PubChem CID66610805
Molecular FormulaC19H22FN3O3S
Molecular Weight391.47 g/mol
Exact Mass391.14
IUPAC Name1-[(4-fluorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)urea
SMILESO=C(NCc1ccc(F)cc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H22FN3O3S/c20-16-6-4-15(5-7-16)14-21-19(24)22-17-8-10-18(11-9-17)27(25,26)23-12-2-1-3-13-23/h4-11H,1-3,12-14H2,(H2,21,22,24)
InChIKeyUIJXNYLEYQRTSV-UHFFFAOYSA-N
XLogP3.32
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(4-fluorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)urea?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)urea (CID 66610805) is 1-[(4-fluorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)urea.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)urea?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)urea is O=C(NCc1ccc(F)cc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)urea?
The InChIKey is UIJXNYLEYQRTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3S/c20-16-6-4-15(5-7-16)14-21-19(24)22-17-8-10-18(11-9-17)27(25,26)23-12-2-1-3-13-23/h4-11H,1-3,12-14H2,(H2,21,22,24).
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)urea?
1-[(4-fluorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)urea has a molecular weight of 391.47 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)urea is sourced from PubChem (CID 66610805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).