4-methoxy-1H-indole-3-sulfonyl chloride

C9H8ClNO3S — CID 24749816

IUPAC4-methoxy-1H-indole-3-sulfonyl chloride
SMILESCOc1cccc2[nH]cc(S(=O)(=O)Cl)c12
InChIInChI=1S/C9H8ClNO3S/c1-14-7-4-2-3-6-9(7)8(5-11-6)15(10,12)13/h2-5,11H,1H3
InChIKeyCQENRQDPMQRYPM-UHFFFAOYSA-N
MW245.69 g/mol
LogP2.10
Rot. Bonds2

About 4-methoxy-1H-indole-3-sulfonyl chloride

4-methoxy-1H-indole-3-sulfonyl chloride (PubChem CID 24749816) has the molecular formula C9H8ClNO3S and a molecular weight of 245.69 g/mol. Its IUPAC name is 4-methoxy-1H-indole-3-sulfonyl chloride.

Molecular Properties

Compound Name4-methoxy-1H-indole-3-sulfonyl chloride
PubChem CID24749816
Molecular FormulaC9H8ClNO3S
Molecular Weight245.69 g/mol
Exact Mass244.99
IUPAC Name4-methoxy-1H-indole-3-sulfonyl chloride
SMILESCOc1cccc2[nH]cc(S(=O)(=O)Cl)c12
InChIInChI=1S/C9H8ClNO3S/c1-14-7-4-2-3-6-9(7)8(5-11-6)15(10,12)13/h2-5,11H,1H3
InChIKeyCQENRQDPMQRYPM-UHFFFAOYSA-N
XLogP2.10
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.69
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1H-indole-3-sulfonyl chloride?
The IUPAC name of 4-methoxy-1H-indole-3-sulfonyl chloride (CID 24749816) is 4-methoxy-1H-indole-3-sulfonyl chloride.
What is the SMILES notation for 4-methoxy-1H-indole-3-sulfonyl chloride?
The canonical SMILES for 4-methoxy-1H-indole-3-sulfonyl chloride is COc1cccc2[nH]cc(S(=O)(=O)Cl)c12.
What is the InChIKey of 4-methoxy-1H-indole-3-sulfonyl chloride?
The InChIKey is CQENRQDPMQRYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO3S/c1-14-7-4-2-3-6-9(7)8(5-11-6)15(10,12)13/h2-5,11H,1H3.
What are the key properties of 4-methoxy-1H-indole-3-sulfonyl chloride?
4-methoxy-1H-indole-3-sulfonyl chloride has a molecular weight of 245.69 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1H-indole-3-sulfonyl chloride is sourced from PubChem (CID 24749816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).