1-[(2-fluorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)urea

C19H22FN3O3S — CID 66610017

IUPAC1-[(2-fluorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)urea
SMILESO=C(NCc1ccccc1F)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H22FN3O3S/c20-18-7-3-2-6-15(18)14-21-19(24)22-16-8-10-17(11-9-16)27(25,26)23-12-4-1-5-13-23/h2-3,6-11H,1,4-5,12-14H2,(H2,21,22,24)
InChIKeyMGFIOQPFNQQNNF-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.32
Rot. Bonds5

About 1-[(2-fluorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)urea

1-[(2-fluorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)urea (PubChem CID 66610017) has the molecular formula C19H22FN3O3S and a molecular weight of 391.47 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)urea.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)urea
PubChem CID66610017
Molecular FormulaC19H22FN3O3S
Molecular Weight391.47 g/mol
Exact Mass391.14
IUPAC Name1-[(2-fluorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)urea
SMILESO=C(NCc1ccccc1F)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H22FN3O3S/c20-18-7-3-2-6-15(18)14-21-19(24)22-16-8-10-17(11-9-16)27(25,26)23-12-4-1-5-13-23/h2-3,6-11H,1,4-5,12-14H2,(H2,21,22,24)
InChIKeyMGFIOQPFNQQNNF-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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)urea?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)urea (CID 66610017) is 1-[(2-fluorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)urea.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)urea?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)urea is O=C(NCc1ccccc1F)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)urea?
The InChIKey is MGFIOQPFNQQNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3S/c20-18-7-3-2-6-15(18)14-21-19(24)22-16-8-10-17(11-9-16)27(25,26)23-12-4-1-5-13-23/h2-3,6-11H,1,4-5,12-14H2,(H2,21,22,24).
What are the key properties of 1-[(2-fluorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)urea?
1-[(2-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-[(2-fluorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)urea is sourced from PubChem (CID 66610017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).