6-chloro-N-(4-chloro-5-methyl-1,2-oxazol-3-yl)-1H-indole-3-sulfinamide

C12H9Cl2N3O2S — CID 174183765

IUPAC6-chloro-N-(4-chloro-5-methyl-1,2-oxazol-3-yl)-1H-indole-3-sulfinamide
SMILESCc1onc(NS(=O)c2c[nH]c3cc(Cl)ccc23)c1Cl
InChIInChI=1S/C12H9Cl2N3O2S/c1-6-11(14)12(16-19-6)17-20(18)10-5-15-9-4-7(13)2-3-8(9)10/h2-5,15H,1H3,(H,16,17)
InChIKeyCHCSLODEGZXUCE-UHFFFAOYSA-N
MW330.20 g/mol
LogP3.91
Rot. Bonds3

About 6-chloro-N-(4-chloro-5-methyl-1,2-oxazol-3-yl)-1H-indole-3-sulfinamide

6-chloro-N-(4-chloro-5-methyl-1,2-oxazol-3-yl)-1H-indole-3-sulfinamide (PubChem CID 174183765) has the molecular formula C12H9Cl2N3O2S and a molecular weight of 330.20 g/mol. Its IUPAC name is 6-chloro-N-(4-chloro-5-methyl-1,2-oxazol-3-yl)-1H-indole-3-sulfinamide.

Molecular Properties

Compound Name6-chloro-N-(4-chloro-5-methyl-1,2-oxazol-3-yl)-1H-indole-3-sulfinamide
PubChem CID174183765
Molecular FormulaC12H9Cl2N3O2S
Molecular Weight330.20 g/mol
Exact Mass328.98
IUPAC Name6-chloro-N-(4-chloro-5-methyl-1,2-oxazol-3-yl)-1H-indole-3-sulfinamide
SMILESCc1onc(NS(=O)c2c[nH]c3cc(Cl)ccc23)c1Cl
InChIInChI=1S/C12H9Cl2N3O2S/c1-6-11(14)12(16-19-6)17-20(18)10-5-15-9-4-7(13)2-3-8(9)10/h2-5,15H,1H3,(H,16,17)
InChIKeyCHCSLODEGZXUCE-UHFFFAOYSA-N
XLogP3.91
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.20
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-chloro-5-methyl-1,2-oxazol-3-yl)-1H-indole-3-sulfinamide?
The IUPAC name of 6-chloro-N-(4-chloro-5-methyl-1,2-oxazol-3-yl)-1H-indole-3-sulfinamide (CID 174183765) is 6-chloro-N-(4-chloro-5-methyl-1,2-oxazol-3-yl)-1H-indole-3-sulfinamide.
What is the SMILES notation for 6-chloro-N-(4-chloro-5-methyl-1,2-oxazol-3-yl)-1H-indole-3-sulfinamide?
The canonical SMILES for 6-chloro-N-(4-chloro-5-methyl-1,2-oxazol-3-yl)-1H-indole-3-sulfinamide is Cc1onc(NS(=O)c2c[nH]c3cc(Cl)ccc23)c1Cl.
What is the InChIKey of 6-chloro-N-(4-chloro-5-methyl-1,2-oxazol-3-yl)-1H-indole-3-sulfinamide?
The InChIKey is CHCSLODEGZXUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O2S/c1-6-11(14)12(16-19-6)17-20(18)10-5-15-9-4-7(13)2-3-8(9)10/h2-5,15H,1H3,(H,16,17).
What are the key properties of 6-chloro-N-(4-chloro-5-methyl-1,2-oxazol-3-yl)-1H-indole-3-sulfinamide?
6-chloro-N-(4-chloro-5-methyl-1,2-oxazol-3-yl)-1H-indole-3-sulfinamide has a molecular weight of 330.20 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-chloro-5-methyl-1,2-oxazol-3-yl)-1H-indole-3-sulfinamide is sourced from PubChem (CID 174183765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).