1-(2-chlorophenyl)-3-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)urea

C17H20ClN3O4S — CID 44569828

IUPAC1-(2-chlorophenyl)-3-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)urea
SMILESCc1oc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Nc1ccccc1Cl
InChIInChI=1S/C17H20ClN3O4S/c1-12-15(20-17(22)19-14-8-4-3-7-13(14)18)11-16(25-12)26(23,24)21-9-5-2-6-10-21/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H2,19,20,22)
InChIKeyADTFUWLJJXOMFD-UHFFFAOYSA-N
MW397.88 g/mol
LogP4.06
Rot. Bonds4

About 1-(2-chlorophenyl)-3-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)urea

1-(2-chlorophenyl)-3-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)urea (PubChem CID 44569828) has the molecular formula C17H20ClN3O4S and a molecular weight of 397.88 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)urea
PubChem CID44569828
Molecular FormulaC17H20ClN3O4S
Molecular Weight397.88 g/mol
Exact Mass397.09
IUPAC Name1-(2-chlorophenyl)-3-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)urea
SMILESCc1oc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Nc1ccccc1Cl
InChIInChI=1S/C17H20ClN3O4S/c1-12-15(20-17(22)19-14-8-4-3-7-13(14)18)11-16(25-12)26(23,24)21-9-5-2-6-10-21/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H2,19,20,22)
InChIKeyADTFUWLJJXOMFD-UHFFFAOYSA-N
XLogP4.06
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.88
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)urea?
The IUPAC name of 1-(2-chlorophenyl)-3-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)urea (CID 44569828) is 1-(2-chlorophenyl)-3-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)urea is Cc1oc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)urea?
The InChIKey is ADTFUWLJJXOMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O4S/c1-12-15(20-17(22)19-14-8-4-3-7-13(14)18)11-16(25-12)26(23,24)21-9-5-2-6-10-21/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H2,19,20,22).
What are the key properties of 1-(2-chlorophenyl)-3-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)urea?
1-(2-chlorophenyl)-3-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)urea has a molecular weight of 397.88 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)urea is sourced from PubChem (CID 44569828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).