2-[3-[[2-chloro-3-(sulfamoylamino)phenyl]methyl]-4-methyl-2-oxochromen-7-yl]oxy-1,3-thiazole

C20H16ClN3O5S2 — CID 24753606

IUPAC2-[3-[[2-chloro-3-(sulfamoylamino)phenyl]methyl]-4-methyl-2-oxochromen-7-yl]oxy-1,3-thiazole
SMILESCc1c(Cc2cccc(NS(N)(=O)=O)c2Cl)c(=O)oc2cc(Oc3nccs3)ccc12
InChIInChI=1S/C20H16ClN3O5S2/c1-11-14-6-5-13(28-20-23-7-8-30-20)10-17(14)29-19(25)15(11)9-12-3-2-4-16(18(12)21)24-31(22,26)27/h2-8,10,24H,9H2,1H3,(H2,22,26,27)
InChIKeyKRTAVWFHEXNCKS-UHFFFAOYSA-N
MW477.95 g/mol
LogP4.21
Rot. Bonds6

About 2-[3-[[2-chloro-3-(sulfamoylamino)phenyl]methyl]-4-methyl-2-oxochromen-7-yl]oxy-1,3-thiazole

2-[3-[[2-chloro-3-(sulfamoylamino)phenyl]methyl]-4-methyl-2-oxochromen-7-yl]oxy-1,3-thiazole (PubChem CID 24753606) has the molecular formula C20H16ClN3O5S2 and a molecular weight of 477.95 g/mol. Its IUPAC name is 2-[3-[[2-chloro-3-(sulfamoylamino)phenyl]methyl]-4-methyl-2-oxochromen-7-yl]oxy-1,3-thiazole.

Molecular Properties

Compound Name2-[3-[[2-chloro-3-(sulfamoylamino)phenyl]methyl]-4-methyl-2-oxochromen-7-yl]oxy-1,3-thiazole
PubChem CID24753606
Molecular FormulaC20H16ClN3O5S2
Molecular Weight477.95 g/mol
Exact Mass477.02
IUPAC Name2-[3-[[2-chloro-3-(sulfamoylamino)phenyl]methyl]-4-methyl-2-oxochromen-7-yl]oxy-1,3-thiazole
SMILESCc1c(Cc2cccc(NS(N)(=O)=O)c2Cl)c(=O)oc2cc(Oc3nccs3)ccc12
InChIInChI=1S/C20H16ClN3O5S2/c1-11-14-6-5-13(28-20-23-7-8-30-20)10-17(14)29-19(25)15(11)9-12-3-2-4-16(18(12)21)24-31(22,26)27/h2-8,10,24H,9H2,1H3,(H2,22,26,27)
InChIKeyKRTAVWFHEXNCKS-UHFFFAOYSA-N
XLogP4.21
TPSA124.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.95
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[2-chloro-3-(sulfamoylamino)phenyl]methyl]-4-methyl-2-oxochromen-7-yl]oxy-1,3-thiazole?
The IUPAC name of 2-[3-[[2-chloro-3-(sulfamoylamino)phenyl]methyl]-4-methyl-2-oxochromen-7-yl]oxy-1,3-thiazole (CID 24753606) is 2-[3-[[2-chloro-3-(sulfamoylamino)phenyl]methyl]-4-methyl-2-oxochromen-7-yl]oxy-1,3-thiazole.
What is the SMILES notation for 2-[3-[[2-chloro-3-(sulfamoylamino)phenyl]methyl]-4-methyl-2-oxochromen-7-yl]oxy-1,3-thiazole?
The canonical SMILES for 2-[3-[[2-chloro-3-(sulfamoylamino)phenyl]methyl]-4-methyl-2-oxochromen-7-yl]oxy-1,3-thiazole is Cc1c(Cc2cccc(NS(N)(=O)=O)c2Cl)c(=O)oc2cc(Oc3nccs3)ccc12.
What is the InChIKey of 2-[3-[[2-chloro-3-(sulfamoylamino)phenyl]methyl]-4-methyl-2-oxochromen-7-yl]oxy-1,3-thiazole?
The InChIKey is KRTAVWFHEXNCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O5S2/c1-11-14-6-5-13(28-20-23-7-8-30-20)10-17(14)29-19(25)15(11)9-12-3-2-4-16(18(12)21)24-31(22,26)27/h2-8,10,24H,9H2,1H3,(H2,22,26,27).
What are the key properties of 2-[3-[[2-chloro-3-(sulfamoylamino)phenyl]methyl]-4-methyl-2-oxochromen-7-yl]oxy-1,3-thiazole?
2-[3-[[2-chloro-3-(sulfamoylamino)phenyl]methyl]-4-methyl-2-oxochromen-7-yl]oxy-1,3-thiazole has a molecular weight of 477.95 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[2-chloro-3-(sulfamoylamino)phenyl]methyl]-4-methyl-2-oxochromen-7-yl]oxy-1,3-thiazole is sourced from PubChem (CID 24753606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).