4,5-dichloro-1H-indole-3-sulfonyl chloride

C8H4Cl3NO2S — CID 82374073

IUPAC4,5-dichloro-1H-indole-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1c[nH]c2ccc(Cl)c(Cl)c12
InChIInChI=1S/C8H4Cl3NO2S/c9-4-1-2-5-7(8(4)10)6(3-12-5)15(11,13)14/h1-3,12H
InChIKeyBGRQBACBPQPWGC-UHFFFAOYSA-N
MW284.55 g/mol
LogP3.40
Rot. Bonds1

About 4,5-dichloro-1H-indole-3-sulfonyl chloride

4,5-dichloro-1H-indole-3-sulfonyl chloride (PubChem CID 82374073) has the molecular formula C8H4Cl3NO2S and a molecular weight of 284.55 g/mol. Its IUPAC name is 4,5-dichloro-1H-indole-3-sulfonyl chloride.

Molecular Properties

Compound Name4,5-dichloro-1H-indole-3-sulfonyl chloride
PubChem CID82374073
Molecular FormulaC8H4Cl3NO2S
Molecular Weight284.55 g/mol
Exact Mass282.90
IUPAC Name4,5-dichloro-1H-indole-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1c[nH]c2ccc(Cl)c(Cl)c12
InChIInChI=1S/C8H4Cl3NO2S/c9-4-1-2-5-7(8(4)10)6(3-12-5)15(11,13)14/h1-3,12H
InChIKeyBGRQBACBPQPWGC-UHFFFAOYSA-N
XLogP3.40
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.55
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-1H-indole-3-sulfonyl chloride?
The IUPAC name of 4,5-dichloro-1H-indole-3-sulfonyl chloride (CID 82374073) is 4,5-dichloro-1H-indole-3-sulfonyl chloride.
What is the SMILES notation for 4,5-dichloro-1H-indole-3-sulfonyl chloride?
The canonical SMILES for 4,5-dichloro-1H-indole-3-sulfonyl chloride is O=S(=O)(Cl)c1c[nH]c2ccc(Cl)c(Cl)c12.
What is the InChIKey of 4,5-dichloro-1H-indole-3-sulfonyl chloride?
The InChIKey is BGRQBACBPQPWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl3NO2S/c9-4-1-2-5-7(8(4)10)6(3-12-5)15(11,13)14/h1-3,12H.
What are the key properties of 4,5-dichloro-1H-indole-3-sulfonyl chloride?
4,5-dichloro-1H-indole-3-sulfonyl chloride has a molecular weight of 284.55 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-1H-indole-3-sulfonyl chloride is sourced from PubChem (CID 82374073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).