6-chloro-1-(4-methylphenyl)sulfonylindole-3-sulfonyl chloride

C15H11Cl2NO4S2 — CID 71305311

IUPAC6-chloro-1-(4-methylphenyl)sulfonylindole-3-sulfonyl chloride
SMILESCc1ccc(S(=O)(=O)n2cc(S(=O)(=O)Cl)c3ccc(Cl)cc32)cc1
InChIInChI=1S/C15H11Cl2NO4S2/c1-10-2-5-12(6-3-10)24(21,22)18-9-15(23(17,19)20)13-7-4-11(16)8-14(13)18/h2-9H,1H3
InChIKeyHSGLRNWSOFHYTP-UHFFFAOYSA-N
MW404.30 g/mol
LogP3.77
Rot. Bonds3

About 6-chloro-1-(4-methylphenyl)sulfonylindole-3-sulfonyl chloride

6-chloro-1-(4-methylphenyl)sulfonylindole-3-sulfonyl chloride (PubChem CID 71305311) has the molecular formula C15H11Cl2NO4S2 and a molecular weight of 404.30 g/mol. Its IUPAC name is 6-chloro-1-(4-methylphenyl)sulfonylindole-3-sulfonyl chloride.

Molecular Properties

Compound Name6-chloro-1-(4-methylphenyl)sulfonylindole-3-sulfonyl chloride
PubChem CID71305311
Molecular FormulaC15H11Cl2NO4S2
Molecular Weight404.30 g/mol
Exact Mass402.95
IUPAC Name6-chloro-1-(4-methylphenyl)sulfonylindole-3-sulfonyl chloride
SMILESCc1ccc(S(=O)(=O)n2cc(S(=O)(=O)Cl)c3ccc(Cl)cc32)cc1
InChIInChI=1S/C15H11Cl2NO4S2/c1-10-2-5-12(6-3-10)24(21,22)18-9-15(23(17,19)20)13-7-4-11(16)8-14(13)18/h2-9H,1H3
InChIKeyHSGLRNWSOFHYTP-UHFFFAOYSA-N
XLogP3.77
TPSA73.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.30
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-1-(4-methylphenyl)sulfonyl-3-[(E)-2-nitroethenyl]indole
CID 102196403
2-[6-chloro-1-(4-methylphenyl)sulfonylindol-3-yl]oxy-N,N-dimethylethanamine
CID 68691484
5-chloro-1-(4-methylphenyl)sulfonylpyridin-2-one
CID 121008382
methyl 3-chloro-1-(4-methylphenyl)sulfonylindole-6-carboxylate
CID 54058252
3-[2-bromo-3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-6-chloro-1-(4-methylphenyl)sulfonylindole
CID 66987157
7-chloro-1-methyl-2-oxoquinoline-4-sulfonyl chloride
CID 170733582
6-chloro-3-ethoxy-2-methyl-1-(4-methylphenyl)sulfonylindole
CID 173212087
5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-3-thiol
CID 146509609
1-(4-chloro-2-fluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine
CID 55352164
1-(benzenesulfonyl)-6-chloro-3-(3-methylsulfonylpropyl)indole
CID 141426905
5-chloro-1-(4-propan-2-ylphenyl)sulfonylindole-3-carbaldehyde
CID 87726153
6-bromo-3-methyl-1-(4-methylphenyl)sulfonylpyrrolo[3,2-c]pyridine
CID 144813630

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(4-methylphenyl)sulfonylindole-3-sulfonyl chloride?
The IUPAC name of 6-chloro-1-(4-methylphenyl)sulfonylindole-3-sulfonyl chloride (CID 71305311) is 6-chloro-1-(4-methylphenyl)sulfonylindole-3-sulfonyl chloride.
What is the SMILES notation for 6-chloro-1-(4-methylphenyl)sulfonylindole-3-sulfonyl chloride?
The canonical SMILES for 6-chloro-1-(4-methylphenyl)sulfonylindole-3-sulfonyl chloride is Cc1ccc(S(=O)(=O)n2cc(S(=O)(=O)Cl)c3ccc(Cl)cc32)cc1.
What is the InChIKey of 6-chloro-1-(4-methylphenyl)sulfonylindole-3-sulfonyl chloride?
The InChIKey is HSGLRNWSOFHYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO4S2/c1-10-2-5-12(6-3-10)24(21,22)18-9-15(23(17,19)20)13-7-4-11(16)8-14(13)18/h2-9H,1H3.
What are the key properties of 6-chloro-1-(4-methylphenyl)sulfonylindole-3-sulfonyl chloride?
6-chloro-1-(4-methylphenyl)sulfonylindole-3-sulfonyl chloride has a molecular weight of 404.30 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(4-methylphenyl)sulfonylindole-3-sulfonyl chloride is sourced from PubChem (CID 71305311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).