1-[2-chloro-5-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(2-fluorophenyl)urea

C19H14Cl2FN3O3S — CID 4854172

IUPAC1-[2-chloro-5-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(2-fluorophenyl)urea
SMILESO=C(Nc1ccccc1F)Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1Cl
InChIInChI=1S/C19H14Cl2FN3O3S/c20-12-5-7-13(8-6-12)25-29(27,28)14-9-10-15(21)18(11-14)24-19(26)23-17-4-2-1-3-16(17)22/h1-11,25H,(H2,23,24,26)
InChIKeyZXNGOOUNENVEJY-UHFFFAOYSA-N
MW454.31 g/mol
LogP5.58
Rot. Bonds5

About 1-[2-chloro-5-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(2-fluorophenyl)urea

1-[2-chloro-5-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(2-fluorophenyl)urea (PubChem CID 4854172) has the molecular formula C19H14Cl2FN3O3S and a molecular weight of 454.31 g/mol. Its IUPAC name is 1-[2-chloro-5-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-[2-chloro-5-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(2-fluorophenyl)urea
PubChem CID4854172
Molecular FormulaC19H14Cl2FN3O3S
Molecular Weight454.31 g/mol
Exact Mass453.01
IUPAC Name1-[2-chloro-5-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(2-fluorophenyl)urea
SMILESO=C(Nc1ccccc1F)Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1Cl
InChIInChI=1S/C19H14Cl2FN3O3S/c20-12-5-7-13(8-6-12)25-29(27,28)14-9-10-15(21)18(11-14)24-19(26)23-17-4-2-1-3-16(17)22/h1-11,25H,(H2,23,24,26)
InChIKeyZXNGOOUNENVEJY-UHFFFAOYSA-N
XLogP5.58
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.31
LogP ≤ 55.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-5-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(2-fluorophenyl)urea?
The IUPAC name of 1-[2-chloro-5-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(2-fluorophenyl)urea (CID 4854172) is 1-[2-chloro-5-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-[2-chloro-5-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-[2-chloro-5-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(2-fluorophenyl)urea is O=C(Nc1ccccc1F)Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1Cl.
What is the InChIKey of 1-[2-chloro-5-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(2-fluorophenyl)urea?
The InChIKey is ZXNGOOUNENVEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2FN3O3S/c20-12-5-7-13(8-6-12)25-29(27,28)14-9-10-15(21)18(11-14)24-19(26)23-17-4-2-1-3-16(17)22/h1-11,25H,(H2,23,24,26).
What are the key properties of 1-[2-chloro-5-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(2-fluorophenyl)urea?
1-[2-chloro-5-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(2-fluorophenyl)urea has a molecular weight of 454.31 g/mol, XLogP of 5.58, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-5-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(2-fluorophenyl)urea is sourced from PubChem (CID 4854172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).