1-(2,4-dichloro-5-sulfamoylphenyl)-3-phenylurea

C13H11Cl2N3O3S — CID 90644503

IUPAC1-(2,4-dichloro-5-sulfamoylphenyl)-3-phenylurea
SMILESNS(=O)(=O)c1cc(NC(=O)Nc2ccccc2)c(Cl)cc1Cl
InChIInChI=1S/C13H11Cl2N3O3S/c14-9-6-10(15)12(22(16,20)21)7-11(9)18-13(19)17-8-4-2-1-3-5-8/h1-7H,(H2,16,20,21)(H2,17,18,19)
InChIKeyFCDBJPWCYHNWFC-UHFFFAOYSA-N
MW360.22 g/mol
LogP3.28
Rot. Bonds3

About 1-(2,4-dichloro-5-sulfamoylphenyl)-3-phenylurea

1-(2,4-dichloro-5-sulfamoylphenyl)-3-phenylurea (PubChem CID 90644503) has the molecular formula C13H11Cl2N3O3S and a molecular weight of 360.22 g/mol. Its IUPAC name is 1-(2,4-dichloro-5-sulfamoylphenyl)-3-phenylurea.

Molecular Properties

Compound Name1-(2,4-dichloro-5-sulfamoylphenyl)-3-phenylurea
PubChem CID90644503
Molecular FormulaC13H11Cl2N3O3S
Molecular Weight360.22 g/mol
Exact Mass358.99
IUPAC Name1-(2,4-dichloro-5-sulfamoylphenyl)-3-phenylurea
SMILESNS(=O)(=O)c1cc(NC(=O)Nc2ccccc2)c(Cl)cc1Cl
InChIInChI=1S/C13H11Cl2N3O3S/c14-9-6-10(15)12(22(16,20)21)7-11(9)18-13(19)17-8-4-2-1-3-5-8/h1-7H,(H2,16,20,21)(H2,17,18,19)
InChIKeyFCDBJPWCYHNWFC-UHFFFAOYSA-N
XLogP3.28
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.22
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 4832009
1-(2,4-Dichlorophenyl)-3-(3-piperidin-1-ylsulfonylphenyl)urea
CID 5069805
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1-(2,4-Dichloro-5-sulfamoylphenyl)-3-(4-sulfamoylphenyl)urea
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1-Benzyl-3-(2,4-dichloro-5-sulfamoylphenyl)urea
CID 90644480

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichloro-5-sulfamoylphenyl)-3-phenylurea?
The IUPAC name of 1-(2,4-dichloro-5-sulfamoylphenyl)-3-phenylurea (CID 90644503) is 1-(2,4-dichloro-5-sulfamoylphenyl)-3-phenylurea.
What is the SMILES notation for 1-(2,4-dichloro-5-sulfamoylphenyl)-3-phenylurea?
The canonical SMILES for 1-(2,4-dichloro-5-sulfamoylphenyl)-3-phenylurea is NS(=O)(=O)c1cc(NC(=O)Nc2ccccc2)c(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichloro-5-sulfamoylphenyl)-3-phenylurea?
The InChIKey is FCDBJPWCYHNWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O3S/c14-9-6-10(15)12(22(16,20)21)7-11(9)18-13(19)17-8-4-2-1-3-5-8/h1-7H,(H2,16,20,21)(H2,17,18,19).
What are the key properties of 1-(2,4-dichloro-5-sulfamoylphenyl)-3-phenylurea?
1-(2,4-dichloro-5-sulfamoylphenyl)-3-phenylurea has a molecular weight of 360.22 g/mol, XLogP of 3.28, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichloro-5-sulfamoylphenyl)-3-phenylurea is sourced from PubChem (CID 90644503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).