3-formyl-7-methoxy-1-methylindole-4-sulfonyl chloride

C11H10ClNO4S — CID 82374092

IUPAC3-formyl-7-methoxy-1-methylindole-4-sulfonyl chloride
SMILESCOc1ccc(S(=O)(=O)Cl)c2c(C=O)cn(C)c12
InChIInChI=1S/C11H10ClNO4S/c1-13-5-7(6-14)10-9(18(12,15)16)4-3-8(17-2)11(10)13/h3-6H,1-2H3
InChIKeyARNOZFKOOZTRHI-UHFFFAOYSA-N
MW287.72 g/mol
LogP1.93
Rot. Bonds3

About 3-formyl-7-methoxy-1-methylindole-4-sulfonyl chloride

3-formyl-7-methoxy-1-methylindole-4-sulfonyl chloride (PubChem CID 82374092) has the molecular formula C11H10ClNO4S and a molecular weight of 287.72 g/mol. Its IUPAC name is 3-formyl-7-methoxy-1-methylindole-4-sulfonyl chloride.

Molecular Properties

Compound Name3-formyl-7-methoxy-1-methylindole-4-sulfonyl chloride
PubChem CID82374092
Molecular FormulaC11H10ClNO4S
Molecular Weight287.72 g/mol
Exact Mass287.00
IUPAC Name3-formyl-7-methoxy-1-methylindole-4-sulfonyl chloride
SMILESCOc1ccc(S(=O)(=O)Cl)c2c(C=O)cn(C)c12
InChIInChI=1S/C11H10ClNO4S/c1-13-5-7(6-14)10-9(18(12,15)16)4-3-8(17-2)11(10)13/h3-6H,1-2H3
InChIKeyARNOZFKOOZTRHI-UHFFFAOYSA-N
XLogP1.93
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.72
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-formyl-7-methoxy-1-methylindole-4-carbonitrile
CID 82394067
2-fluoro-3,4-dimethoxybenzenesulfonyl chloride
CID 84708317
4-amino-5-methoxy-1-methylindole-3-carbaldehyde;ethanol;5-methoxy-1-methyl-4-nitroindole-3-carbaldehyde
CID 159830125
4-chloro-2-methoxybenzenesulfonyl chloride
CID 15725376
3-formyl-5-methoxy-4-methylbenzenesulfonyl chloride
CID 171022027
1-(4-chloro-7-methoxy-1-methylindol-3-yl)-N-methylmethanamine
CID 83868411
2,4-dimethoxy-3-nitrobenzenesulfonyl chloride
CID 172968951
4-methoxy-1-propylindole-3-sulfonyl chloride
CID 83162428
2,4-dimethoxybenzene-1,3-dicarbaldehyde
CID 11615337
4-chloro-2-formylbenzenesulfonyl chloride
CID 174946793
8-methoxy-1,4,5-trimethyl-2-oxoquinoline-3-carbaldehyde
CID 84631857
1-(7-methoxy-1,4-dimethylindol-3-yl)propan-2-one
CID 82495456

Frequently Asked Questions

What is the IUPAC name of 3-formyl-7-methoxy-1-methylindole-4-sulfonyl chloride?
The IUPAC name of 3-formyl-7-methoxy-1-methylindole-4-sulfonyl chloride (CID 82374092) is 3-formyl-7-methoxy-1-methylindole-4-sulfonyl chloride.
What is the SMILES notation for 3-formyl-7-methoxy-1-methylindole-4-sulfonyl chloride?
The canonical SMILES for 3-formyl-7-methoxy-1-methylindole-4-sulfonyl chloride is COc1ccc(S(=O)(=O)Cl)c2c(C=O)cn(C)c12.
What is the InChIKey of 3-formyl-7-methoxy-1-methylindole-4-sulfonyl chloride?
The InChIKey is ARNOZFKOOZTRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO4S/c1-13-5-7(6-14)10-9(18(12,15)16)4-3-8(17-2)11(10)13/h3-6H,1-2H3.
What are the key properties of 3-formyl-7-methoxy-1-methylindole-4-sulfonyl chloride?
3-formyl-7-methoxy-1-methylindole-4-sulfonyl chloride has a molecular weight of 287.72 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formyl-7-methoxy-1-methylindole-4-sulfonyl chloride is sourced from PubChem (CID 82374092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).