1-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(2-fluorophenyl)urea

C19H15ClFN3O3S — CID 4799082

IUPAC1-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(2-fluorophenyl)urea
SMILESO=C(Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)Nc1ccccc1F
InChIInChI=1S/C19H15ClFN3O3S/c20-13-8-10-14(11-9-13)24-28(26,27)16-5-3-4-15(12-16)22-19(25)23-18-7-2-1-6-17(18)21/h1-12,24H,(H2,22,23,25)
InChIKeyRDRYDMVUHCLCMF-UHFFFAOYSA-N
MW419.87 g/mol
LogP4.92
Rot. Bonds5

About 1-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(2-fluorophenyl)urea

1-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(2-fluorophenyl)urea (PubChem CID 4799082) has the molecular formula C19H15ClFN3O3S and a molecular weight of 419.87 g/mol. Its IUPAC name is 1-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(2-fluorophenyl)urea
PubChem CID4799082
Molecular FormulaC19H15ClFN3O3S
Molecular Weight419.87 g/mol
Exact Mass419.05
IUPAC Name1-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(2-fluorophenyl)urea
SMILESO=C(Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)Nc1ccccc1F
InChIInChI=1S/C19H15ClFN3O3S/c20-13-8-10-14(11-9-13)24-28(26,27)16-5-3-4-15(12-16)22-19(25)23-18-7-2-1-6-17(18)21/h1-12,24H,(H2,22,23,25)
InChIKeyRDRYDMVUHCLCMF-UHFFFAOYSA-N
XLogP4.92
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.87
LogP ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(2-fluorophenyl)urea?
The IUPAC name of 1-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(2-fluorophenyl)urea (CID 4799082) is 1-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(2-fluorophenyl)urea is O=C(Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)Nc1ccccc1F.
What is the InChIKey of 1-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(2-fluorophenyl)urea?
The InChIKey is RDRYDMVUHCLCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O3S/c20-13-8-10-14(11-9-13)24-28(26,27)16-5-3-4-15(12-16)22-19(25)23-18-7-2-1-6-17(18)21/h1-12,24H,(H2,22,23,25).
What are the key properties of 1-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(2-fluorophenyl)urea?
1-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(2-fluorophenyl)urea has a molecular weight of 419.87 g/mol, XLogP of 4.92, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(2-fluorophenyl)urea is sourced from PubChem (CID 4799082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).