4,7-dichloro-1H-indole-3-sulfonyl chloride

C8H4Cl3NO2S — CID 82374063

IUPAC4,7-dichloro-1H-indole-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1c[nH]c2c(Cl)ccc(Cl)c12
InChIInChI=1S/C8H4Cl3NO2S/c9-4-1-2-5(10)8-7(4)6(3-12-8)15(11,13)14/h1-3,12H
InChIKeyNHIHMDATOKDAGF-UHFFFAOYSA-N
MW284.55 g/mol
LogP3.40
Rot. Bonds1

About 4,7-dichloro-1H-indole-3-sulfonyl chloride

4,7-dichloro-1H-indole-3-sulfonyl chloride (PubChem CID 82374063) has the molecular formula C8H4Cl3NO2S and a molecular weight of 284.55 g/mol. Its IUPAC name is 4,7-dichloro-1H-indole-3-sulfonyl chloride.

Molecular Properties

Compound Name4,7-dichloro-1H-indole-3-sulfonyl chloride
PubChem CID82374063
Molecular FormulaC8H4Cl3NO2S
Molecular Weight284.55 g/mol
Exact Mass282.90
IUPAC Name4,7-dichloro-1H-indole-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1c[nH]c2c(Cl)ccc(Cl)c12
InChIInChI=1S/C8H4Cl3NO2S/c9-4-1-2-5(10)8-7(4)6(3-12-8)15(11,13)14/h1-3,12H
InChIKeyNHIHMDATOKDAGF-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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Related Compounds

4,5-dichloro-1H-indole-3-sulfonyl chloride
CID 82374073
7,8-dichloro-1-oxo-2H-isoquinoline-4-sulfonyl chloride
CID 170733590
6-chloro-7-(1,2,4-triazol-4-yl)-1H-indole-3-sulfonyl chloride
CID 170742696
7-chloro-1H-pyrrolo[2,3-c]pyridine-3-sulfonyl chloride
CID 91619175
6,7-dichloro-1H-indole;6,7-dichloro-1H-indole-3-sulfonyl chloride;sulfurochloridic acid
CID 158258905
3,4-dibromo-7-chloro-1H-indole
CID 178073407
4-N-(3,4-dichloro-1H-indol-7-yl)benzene-1,4-disulfonamide
CID 22228546
6-chloro-7-(3-methyl-2-pyridinyl)-1H-indole-3-sulfonyl chloride
CID 170742564
2-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]benzenesulfonyl fluoride
CID 175760561
3,5-dibromo-8-chloro-1H-quinolin-4-one
CID 114759466
7-bromo-6-chloro-1H-indole-3-sulfonic acid
CID 170985985
N-(3,4-dichloro-1H-indol-7-yl)-1H-pyrazole-4-sulfonamide
CID 155193461

Frequently Asked Questions

What is the IUPAC name of 4,7-dichloro-1H-indole-3-sulfonyl chloride?
The IUPAC name of 4,7-dichloro-1H-indole-3-sulfonyl chloride (CID 82374063) is 4,7-dichloro-1H-indole-3-sulfonyl chloride.
What is the SMILES notation for 4,7-dichloro-1H-indole-3-sulfonyl chloride?
The canonical SMILES for 4,7-dichloro-1H-indole-3-sulfonyl chloride is O=S(=O)(Cl)c1c[nH]c2c(Cl)ccc(Cl)c12.
What is the InChIKey of 4,7-dichloro-1H-indole-3-sulfonyl chloride?
The InChIKey is NHIHMDATOKDAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl3NO2S/c9-4-1-2-5(10)8-7(4)6(3-12-8)15(11,13)14/h1-3,12H.
What are the key properties of 4,7-dichloro-1H-indole-3-sulfonyl chloride?
4,7-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 4,7-dichloro-1H-indole-3-sulfonyl chloride is sourced from PubChem (CID 82374063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).