1-(3-chlorophenyl)sulfonyl-3-(3,5-dichlorophenyl)urea

C13H9Cl3N2O3S — CID 54587610

IUPAC1-(3-chlorophenyl)sulfonyl-3-(3,5-dichlorophenyl)urea
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)NS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C13H9Cl3N2O3S/c14-8-2-1-3-12(7-8)22(20,21)18-13(19)17-11-5-9(15)4-10(16)6-11/h1-7H,(H2,17,18,19)
InChIKeyWEPSKTYXYPARSQ-UHFFFAOYSA-N
MW379.65 g/mol
LogP4.16
Rot. Bonds3

About 1-(3-chlorophenyl)sulfonyl-3-(3,5-dichlorophenyl)urea

1-(3-chlorophenyl)sulfonyl-3-(3,5-dichlorophenyl)urea (PubChem CID 54587610) has the molecular formula C13H9Cl3N2O3S and a molecular weight of 379.65 g/mol. Its IUPAC name is 1-(3-chlorophenyl)sulfonyl-3-(3,5-dichlorophenyl)urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)sulfonyl-3-(3,5-dichlorophenyl)urea
PubChem CID54587610
Molecular FormulaC13H9Cl3N2O3S
Molecular Weight379.65 g/mol
Exact Mass377.94
IUPAC Name1-(3-chlorophenyl)sulfonyl-3-(3,5-dichlorophenyl)urea
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)NS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C13H9Cl3N2O3S/c14-8-2-1-3-12(7-8)22(20,21)18-13(19)17-11-5-9(15)4-10(16)6-11/h1-7H,(H2,17,18,19)
InChIKeyWEPSKTYXYPARSQ-UHFFFAOYSA-N
XLogP4.16
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.65
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)sulfonyl-3-(3,5-dichlorophenyl)urea?
The IUPAC name of 1-(3-chlorophenyl)sulfonyl-3-(3,5-dichlorophenyl)urea (CID 54587610) is 1-(3-chlorophenyl)sulfonyl-3-(3,5-dichlorophenyl)urea.
What is the SMILES notation for 1-(3-chlorophenyl)sulfonyl-3-(3,5-dichlorophenyl)urea?
The canonical SMILES for 1-(3-chlorophenyl)sulfonyl-3-(3,5-dichlorophenyl)urea is O=C(Nc1cc(Cl)cc(Cl)c1)NS(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)sulfonyl-3-(3,5-dichlorophenyl)urea?
The InChIKey is WEPSKTYXYPARSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3N2O3S/c14-8-2-1-3-12(7-8)22(20,21)18-13(19)17-11-5-9(15)4-10(16)6-11/h1-7H,(H2,17,18,19).
What are the key properties of 1-(3-chlorophenyl)sulfonyl-3-(3,5-dichlorophenyl)urea?
1-(3-chlorophenyl)sulfonyl-3-(3,5-dichlorophenyl)urea has a molecular weight of 379.65 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)sulfonyl-3-(3,5-dichlorophenyl)urea is sourced from PubChem (CID 54587610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).