1-[3-chloro-4-(1-oxoinden-2-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea

C20H12Cl2N2O4S2 — CID 20799090

IUPAC1-[3-chloro-4-(1-oxoinden-2-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea
SMILESO=C(Nc1ccc(C2=Cc3ccccc3C2=O)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C20H12Cl2N2O4S2/c21-16-10-12(23-20(26)24-30(27,28)18-8-7-17(22)29-18)5-6-14(16)15-9-11-3-1-2-4-13(11)19(15)25/h1-10H,(H2,23,24,26)
InChIKeyFQWRTHQTVVFVAX-UHFFFAOYSA-N
MW479.37 g/mol
LogP5.30
Rot. Bonds4

About 1-[3-chloro-4-(1-oxoinden-2-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea

1-[3-chloro-4-(1-oxoinden-2-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea (PubChem CID 20799090) has the molecular formula C20H12Cl2N2O4S2 and a molecular weight of 479.37 g/mol. Its IUPAC name is 1-[3-chloro-4-(1-oxoinden-2-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea.

Molecular Properties

Compound Name1-[3-chloro-4-(1-oxoinden-2-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea
PubChem CID20799090
Molecular FormulaC20H12Cl2N2O4S2
Molecular Weight479.37 g/mol
Exact Mass477.96
IUPAC Name1-[3-chloro-4-(1-oxoinden-2-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea
SMILESO=C(Nc1ccc(C2=Cc3ccccc3C2=O)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C20H12Cl2N2O4S2/c21-16-10-12(23-20(26)24-30(27,28)18-8-7-17(22)29-18)5-6-14(16)15-9-11-3-1-2-4-13(11)19(15)25/h1-10H,(H2,23,24,26)
InChIKeyFQWRTHQTVVFVAX-UHFFFAOYSA-N
XLogP5.30
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.37
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(1-oxoinden-2-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea?
The IUPAC name of 1-[3-chloro-4-(1-oxoinden-2-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea (CID 20799090) is 1-[3-chloro-4-(1-oxoinden-2-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea.
What is the SMILES notation for 1-[3-chloro-4-(1-oxoinden-2-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea?
The canonical SMILES for 1-[3-chloro-4-(1-oxoinden-2-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea is O=C(Nc1ccc(C2=Cc3ccccc3C2=O)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 1-[3-chloro-4-(1-oxoinden-2-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea?
The InChIKey is FQWRTHQTVVFVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2N2O4S2/c21-16-10-12(23-20(26)24-30(27,28)18-8-7-17(22)29-18)5-6-14(16)15-9-11-3-1-2-4-13(11)19(15)25/h1-10H,(H2,23,24,26).
What are the key properties of 1-[3-chloro-4-(1-oxoinden-2-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea?
1-[3-chloro-4-(1-oxoinden-2-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea has a molecular weight of 479.37 g/mol, XLogP of 5.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(1-oxoinden-2-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea is sourced from PubChem (CID 20799090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).