1-(2,4-dichlorophenyl)-3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]urea

C18H18Cl2FN3O3S — CID 3562031

IUPAC1-(2,4-dichlorophenyl)-3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]urea
SMILESO=C(Nc1ccc(Cl)cc1Cl)NC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H18Cl2FN3O3S/c19-12-1-6-17(16(20)11-12)23-18(25)22-14-7-9-24(10-8-14)28(26,27)15-4-2-13(21)3-5-15/h1-6,11,14H,7-10H2,(H2,22,23,25)
InChIKeyMEWBGMHSKOIZCC-UHFFFAOYSA-N
MW446.33 g/mol
LogP4.11
Rot. Bonds4

About 1-(2,4-dichlorophenyl)-3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]urea

1-(2,4-dichlorophenyl)-3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]urea (PubChem CID 3562031) has the molecular formula C18H18Cl2FN3O3S and a molecular weight of 446.33 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]urea.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]urea
PubChem CID3562031
Molecular FormulaC18H18Cl2FN3O3S
Molecular Weight446.33 g/mol
Exact Mass445.04
IUPAC Name1-(2,4-dichlorophenyl)-3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]urea
SMILESO=C(Nc1ccc(Cl)cc1Cl)NC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H18Cl2FN3O3S/c19-12-1-6-17(16(20)11-12)23-18(25)22-14-7-9-24(10-8-14)28(26,27)15-4-2-13(21)3-5-15/h1-6,11,14H,7-10H2,(H2,22,23,25)
InChIKeyMEWBGMHSKOIZCC-UHFFFAOYSA-N
XLogP4.11
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.33
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-3-(4-chlorophenyl)urea
CID 3339972
1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 24899022
N-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 1327118
1-(2,4-dichlorophenyl)-3-(4-methylcyclohexyl)urea
CID 51421854
1-(4-chlorophenyl)sulfonyl-N-(2,5-difluorophenyl)piperidine-4-carboxamide
CID 18170489
N-(2,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 26115362
N-[1-(benzenesulfonyl)piperidin-4-yl]-2,5-dichlorobenzamide
CID 108561561
1-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 1077650
1-(4-chlorophenyl)sulfonyl-N-(2,4-dichlorophenyl)piperidine-3-carboxamide
CID 43042431
1-(3-chloro-4-fluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)urea
CID 110706232
1-cyclohexyl-3-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]ethyl]urea
CID 50822758
N-(2,5-dichlorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 4018187

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]urea?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]urea (CID 3562031) is 1-(2,4-dichlorophenyl)-3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]urea.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]urea?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]urea is O=C(Nc1ccc(Cl)cc1Cl)NC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]urea?
The InChIKey is MEWBGMHSKOIZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2FN3O3S/c19-12-1-6-17(16(20)11-12)23-18(25)22-14-7-9-24(10-8-14)28(26,27)15-4-2-13(21)3-5-15/h1-6,11,14H,7-10H2,(H2,22,23,25).
What are the key properties of 1-(2,4-dichlorophenyl)-3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]urea?
1-(2,4-dichlorophenyl)-3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]urea has a molecular weight of 446.33 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]urea is sourced from PubChem (CID 3562031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).