1-(3-chlorophenyl)-1-phenyl-3-(2-sulfamoylphenyl)urea

C19H16ClN3O3S — CID 122179680

IUPAC1-(3-chlorophenyl)-1-phenyl-3-(2-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccccc1NC(=O)N(c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C19H16ClN3O3S/c20-14-7-6-10-16(13-14)23(15-8-2-1-3-9-15)19(24)22-17-11-4-5-12-18(17)27(21,25)26/h1-13H,(H,22,24)(H2,21,25,26)
InChIKeyBEYDEOQQRKPKOQ-UHFFFAOYSA-N
MW401.88 g/mol
LogP4.36
Rot. Bonds4

About 1-(3-chlorophenyl)-1-phenyl-3-(2-sulfamoylphenyl)urea

1-(3-chlorophenyl)-1-phenyl-3-(2-sulfamoylphenyl)urea (PubChem CID 122179680) has the molecular formula C19H16ClN3O3S and a molecular weight of 401.88 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-1-phenyl-3-(2-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-1-phenyl-3-(2-sulfamoylphenyl)urea
PubChem CID122179680
Molecular FormulaC19H16ClN3O3S
Molecular Weight401.88 g/mol
Exact Mass401.06
IUPAC Name1-(3-chlorophenyl)-1-phenyl-3-(2-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccccc1NC(=O)N(c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C19H16ClN3O3S/c20-14-7-6-10-16(13-14)23(15-8-2-1-3-9-15)19(24)22-17-11-4-5-12-18(17)27(21,25)26/h1-13H,(H,22,24)(H2,21,25,26)
InChIKeyBEYDEOQQRKPKOQ-UHFFFAOYSA-N
XLogP4.36
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.88
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-1-phenyl-3-(2-sulfamoylphenyl)urea?
The IUPAC name of 1-(3-chlorophenyl)-1-phenyl-3-(2-sulfamoylphenyl)urea (CID 122179680) is 1-(3-chlorophenyl)-1-phenyl-3-(2-sulfamoylphenyl)urea.
What is the SMILES notation for 1-(3-chlorophenyl)-1-phenyl-3-(2-sulfamoylphenyl)urea?
The canonical SMILES for 1-(3-chlorophenyl)-1-phenyl-3-(2-sulfamoylphenyl)urea is NS(=O)(=O)c1ccccc1NC(=O)N(c1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-1-phenyl-3-(2-sulfamoylphenyl)urea?
The InChIKey is BEYDEOQQRKPKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3S/c20-14-7-6-10-16(13-14)23(15-8-2-1-3-9-15)19(24)22-17-11-4-5-12-18(17)27(21,25)26/h1-13H,(H,22,24)(H2,21,25,26).
What are the key properties of 1-(3-chlorophenyl)-1-phenyl-3-(2-sulfamoylphenyl)urea?
1-(3-chlorophenyl)-1-phenyl-3-(2-sulfamoylphenyl)urea has a molecular weight of 401.88 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-1-phenyl-3-(2-sulfamoylphenyl)urea is sourced from PubChem (CID 122179680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).