1-[(E)-2,3-dichloroprop-2-enyl]indole-3-sulfonyl chloride

C11H8Cl3NO2S — CID 82915350

IUPAC1-[(E)-2,3-dichloroprop-2-enyl]indole-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cn(C/C(Cl)=C\Cl)c2ccccc12
InChIInChI=1S/C11H8Cl3NO2S/c12-5-8(13)6-15-7-11(18(14,16)17)9-3-1-2-4-10(9)15/h1-5,7H,6H2/b8-5+
InChIKeySXFGFNUFBCYKHJ-VMPITWQZSA-N
MW324.62 g/mol
LogP3.89
Rot. Bonds3

About 1-[(E)-2,3-dichloroprop-2-enyl]indole-3-sulfonyl chloride

1-[(E)-2,3-dichloroprop-2-enyl]indole-3-sulfonyl chloride (PubChem CID 82915350) has the molecular formula C11H8Cl3NO2S and a molecular weight of 324.62 g/mol. Its IUPAC name is 1-[(E)-2,3-dichloroprop-2-enyl]indole-3-sulfonyl chloride.

Molecular Properties

Compound Name1-[(E)-2,3-dichloroprop-2-enyl]indole-3-sulfonyl chloride
PubChem CID82915350
Molecular FormulaC11H8Cl3NO2S
Molecular Weight324.62 g/mol
Exact Mass322.93
IUPAC Name1-[(E)-2,3-dichloroprop-2-enyl]indole-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cn(C/C(Cl)=C\Cl)c2ccccc12
InChIInChI=1S/C11H8Cl3NO2S/c12-5-8(13)6-15-7-11(18(14,16)17)9-3-1-2-4-10(9)15/h1-5,7H,6H2/b8-5+
InChIKeySXFGFNUFBCYKHJ-VMPITWQZSA-N
XLogP3.89
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.62
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-prop-2-enylindole-3-sulfonyl chloride
CID 82915352
1-(cyclopropylmethyl)indole-3-sulfonyl chloride
CID 82696799
1-pent-4-enylindole-3-sulfonyl chloride
CID 82914607
1-methylindole-3-sulfonyl chloride
CID 55280184
1-(3-amino-2-methyl-3-oxopropyl)indole-3-sulfonyl chloride
CID 82914753
1-[(1-methylimidazol-2-yl)methyl]indole-3-sulfonyl chloride
CID 82914378
1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-3-sulfonyl chloride
CID 107915023
1-[2-(fluoromethyl)but-2-enyl]-3-(2-methylprop-2-enylsulfonyl)indole
CID 123250076
2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 43958458
N-[(2-chlorophenyl)methyl]-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 20911124
N-butyl-2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-methylacetamide
CID 30560884
1-(azepan-1-yl)-2-[3-[2-(azepan-1-yl)-2-oxoethyl]sulfonylindol-1-yl]ethanone
CID 18563563

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2,3-dichloroprop-2-enyl]indole-3-sulfonyl chloride?
The IUPAC name of 1-[(E)-2,3-dichloroprop-2-enyl]indole-3-sulfonyl chloride (CID 82915350) is 1-[(E)-2,3-dichloroprop-2-enyl]indole-3-sulfonyl chloride.
What is the SMILES notation for 1-[(E)-2,3-dichloroprop-2-enyl]indole-3-sulfonyl chloride?
The canonical SMILES for 1-[(E)-2,3-dichloroprop-2-enyl]indole-3-sulfonyl chloride is O=S(=O)(Cl)c1cn(C/C(Cl)=C\Cl)c2ccccc12.
What is the InChIKey of 1-[(E)-2,3-dichloroprop-2-enyl]indole-3-sulfonyl chloride?
The InChIKey is SXFGFNUFBCYKHJ-VMPITWQZSA-N. The full InChI is InChI=1S/C11H8Cl3NO2S/c12-5-8(13)6-15-7-11(18(14,16)17)9-3-1-2-4-10(9)15/h1-5,7H,6H2/b8-5+.
What are the key properties of 1-[(E)-2,3-dichloroprop-2-enyl]indole-3-sulfonyl chloride?
1-[(E)-2,3-dichloroprop-2-enyl]indole-3-sulfonyl chloride has a molecular weight of 324.62 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2,3-dichloroprop-2-enyl]indole-3-sulfonyl chloride is sourced from PubChem (CID 82915350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).