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

C19H23N3O3S — CID 66611088

IUPAC1-benzyl-3-(4-piperidin-1-ylsulfonylphenyl)urea
SMILESO=C(NCc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H23N3O3S/c23-19(20-15-16-7-3-1-4-8-16)21-17-9-11-18(12-10-17)26(24,25)22-13-5-2-6-14-22/h1,3-4,7-12H,2,5-6,13-15H2,(H2,20,21,23)
InChIKeyPLVMEOKOYUKQTG-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.18
Rot. Bonds5

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

1-benzyl-3-(4-piperidin-1-ylsulfonylphenyl)urea (PubChem CID 66611088) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 1-benzyl-3-(4-piperidin-1-ylsulfonylphenyl)urea.

Molecular Properties

Compound Name1-benzyl-3-(4-piperidin-1-ylsulfonylphenyl)urea
PubChem CID66611088
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name1-benzyl-3-(4-piperidin-1-ylsulfonylphenyl)urea
SMILESO=C(NCc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H23N3O3S/c23-19(20-15-16-7-3-1-4-8-16)21-17-9-11-18(12-10-17)26(24,25)22-13-5-2-6-14-22/h1,3-4,7-12H,2,5-6,13-15H2,(H2,20,21,23)
InChIKeyPLVMEOKOYUKQTG-UHFFFAOYSA-N
XLogP3.18
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-piperidin-1-ylsulfonylphenyl)urea?
The IUPAC name of 1-benzyl-3-(4-piperidin-1-ylsulfonylphenyl)urea (CID 66611088) is 1-benzyl-3-(4-piperidin-1-ylsulfonylphenyl)urea.
What is the SMILES notation for 1-benzyl-3-(4-piperidin-1-ylsulfonylphenyl)urea?
The canonical SMILES for 1-benzyl-3-(4-piperidin-1-ylsulfonylphenyl)urea is O=C(NCc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 1-benzyl-3-(4-piperidin-1-ylsulfonylphenyl)urea?
The InChIKey is PLVMEOKOYUKQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c23-19(20-15-16-7-3-1-4-8-16)21-17-9-11-18(12-10-17)26(24,25)22-13-5-2-6-14-22/h1,3-4,7-12H,2,5-6,13-15H2,(H2,20,21,23).
What are the key properties of 1-benzyl-3-(4-piperidin-1-ylsulfonylphenyl)urea?
1-benzyl-3-(4-piperidin-1-ylsulfonylphenyl)urea has a molecular weight of 373.48 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-piperidin-1-ylsulfonylphenyl)urea is sourced from PubChem (CID 66611088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).