1-[3-[(4-chlorophenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-3-(4-fluorophenyl)urea

C24H24ClFN4O3S — CID 4079411

IUPAC1-[3-[(4-chlorophenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-3-(4-fluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1)Nc1ccc(N2CCCCC2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C24H24ClFN4O3S/c25-17-4-8-20(9-5-17)29-34(32,33)23-16-21(12-13-22(23)30-14-2-1-3-15-30)28-24(31)27-19-10-6-18(26)7-11-19/h4-13,16,29H,1-3,14-15H2,(H2,27,28,31)
InChIKeyDLUPBFPZPIVFDI-UHFFFAOYSA-N
MW503.00 g/mol
LogP5.91
Rot. Bonds6

About 1-[3-[(4-chlorophenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-3-(4-fluorophenyl)urea

1-[3-[(4-chlorophenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-3-(4-fluorophenyl)urea (PubChem CID 4079411) has the molecular formula C24H24ClFN4O3S and a molecular weight of 503.00 g/mol. Its IUPAC name is 1-[3-[(4-chlorophenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[3-[(4-chlorophenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-3-(4-fluorophenyl)urea
PubChem CID4079411
Molecular FormulaC24H24ClFN4O3S
Molecular Weight503.00 g/mol
Exact Mass502.12
IUPAC Name1-[3-[(4-chlorophenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-3-(4-fluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1)Nc1ccc(N2CCCCC2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C24H24ClFN4O3S/c25-17-4-8-20(9-5-17)29-34(32,33)23-16-21(12-13-22(23)30-14-2-1-3-15-30)28-24(31)27-19-10-6-18(26)7-11-19/h4-13,16,29H,1-3,14-15H2,(H2,27,28,31)
InChIKeyDLUPBFPZPIVFDI-UHFFFAOYSA-N
XLogP5.91
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.00
LogP ≤ 55.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-Amino-N-(4-chloro-phenyl)-2-piperidin-1-yl-benzenesulfonamide
CID 3422328
5-Amino-N-(2-chloro-phenyl)-2-piperidin-1-yl-benzenesulfonamide
CID 3767555
1-[3-[(2-Chlorophenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-3-(3,4-dichlorophenyl)urea
CID 3650002
1-[3-[(2-Chlorophenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 4331202
1-(2,4-Dichlorophenyl)-3-(3-piperidin-1-ylsulfonylphenyl)urea
CID 5069805
4-(4-chlorophenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide
CID 122187425
1-[2-[4-(4-Chlorophenyl)piperazin-1-yl]ethyl]-3-(4-sulfamoylphenyl)urea
CID 137641290
1-[3-[(2-Chlorophenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-3-(4-fluorophenyl)urea
CID 3611470
1-(4-Chlorophenyl)-3-[3-[(2-chlorophenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]urea
CID 3650003
1-(3-Chlorophenyl)-1-phenyl-3-(2-sulfamoylphenyl)urea
CID 122179680
4-(3-chloro-4-fluorophenyl)sulfonyl-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 39951230
1-(4-Chlorophenyl)-3-[2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]ethyl]urea
CID 50822666

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-chlorophenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-3-(4-fluorophenyl)urea?
The IUPAC name of 1-[3-[(4-chlorophenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-3-(4-fluorophenyl)urea (CID 4079411) is 1-[3-[(4-chlorophenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[3-[(4-chlorophenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[3-[(4-chlorophenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-3-(4-fluorophenyl)urea is O=C(Nc1ccc(F)cc1)Nc1ccc(N2CCCCC2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-[3-[(4-chlorophenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-3-(4-fluorophenyl)urea?
The InChIKey is DLUPBFPZPIVFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN4O3S/c25-17-4-8-20(9-5-17)29-34(32,33)23-16-21(12-13-22(23)30-14-2-1-3-15-30)28-24(31)27-19-10-6-18(26)7-11-19/h4-13,16,29H,1-3,14-15H2,(H2,27,28,31).
What are the key properties of 1-[3-[(4-chlorophenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-3-(4-fluorophenyl)urea?
1-[3-[(4-chlorophenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-3-(4-fluorophenyl)urea has a molecular weight of 503.00 g/mol, XLogP of 5.91, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-chlorophenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-3-(4-fluorophenyl)urea is sourced from PubChem (CID 4079411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).