5-chloro-1H-indole-3-sulfonyl chloride

C8H5Cl2NO2S — CID 82374064

IUPAC5-chloro-1H-indole-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C8H5Cl2NO2S/c9-5-1-2-7-6(3-5)8(4-11-7)14(10,12)13/h1-4,11H
InChIKeyPOQFPVLKNKMPJW-UHFFFAOYSA-N
MW250.11 g/mol
LogP2.75
Rot. Bonds1

About 5-chloro-1H-indole-3-sulfonyl chloride

5-chloro-1H-indole-3-sulfonyl chloride (PubChem CID 82374064) has the molecular formula C8H5Cl2NO2S and a molecular weight of 250.11 g/mol. Its IUPAC name is 5-chloro-1H-indole-3-sulfonyl chloride.

Molecular Properties

Compound Name5-chloro-1H-indole-3-sulfonyl chloride
PubChem CID82374064
Molecular FormulaC8H5Cl2NO2S
Molecular Weight250.11 g/mol
Exact Mass248.94
IUPAC Name5-chloro-1H-indole-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C8H5Cl2NO2S/c9-5-1-2-7-6(3-5)8(4-11-7)14(10,12)13/h1-4,11H
InChIKeyPOQFPVLKNKMPJW-UHFFFAOYSA-N
XLogP2.75
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.11
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1H-indole-3-sulfonyl chloride?
The IUPAC name of 5-chloro-1H-indole-3-sulfonyl chloride (CID 82374064) is 5-chloro-1H-indole-3-sulfonyl chloride.
What is the SMILES notation for 5-chloro-1H-indole-3-sulfonyl chloride?
The canonical SMILES for 5-chloro-1H-indole-3-sulfonyl chloride is O=S(=O)(Cl)c1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-1H-indole-3-sulfonyl chloride?
The InChIKey is POQFPVLKNKMPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2NO2S/c9-5-1-2-7-6(3-5)8(4-11-7)14(10,12)13/h1-4,11H.
What are the key properties of 5-chloro-1H-indole-3-sulfonyl chloride?
5-chloro-1H-indole-3-sulfonyl chloride has a molecular weight of 250.11 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1H-indole-3-sulfonyl chloride is sourced from PubChem (CID 82374064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).