6-methoxy-1-phenylindole-3-sulfonyl chloride

C15H12ClNO3S — CID 153279336

IUPAC6-methoxy-1-phenylindole-3-sulfonyl chloride
SMILESCOc1ccc2c(S(=O)(=O)Cl)cn(-c3ccccc3)c2c1
InChIInChI=1S/C15H12ClNO3S/c1-20-12-7-8-13-14(9-12)17(10-15(13)21(16,18)19)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyXJGOTRLQXGHKRO-UHFFFAOYSA-N
MW321.79 g/mol
LogP3.57
Rot. Bonds3

About 6-methoxy-1-phenylindole-3-sulfonyl chloride

6-methoxy-1-phenylindole-3-sulfonyl chloride (PubChem CID 153279336) has the molecular formula C15H12ClNO3S and a molecular weight of 321.79 g/mol. Its IUPAC name is 6-methoxy-1-phenylindole-3-sulfonyl chloride.

Molecular Properties

Compound Name6-methoxy-1-phenylindole-3-sulfonyl chloride
PubChem CID153279336
Molecular FormulaC15H12ClNO3S
Molecular Weight321.79 g/mol
Exact Mass321.02
IUPAC Name6-methoxy-1-phenylindole-3-sulfonyl chloride
SMILESCOc1ccc2c(S(=O)(=O)Cl)cn(-c3ccccc3)c2c1
InChIInChI=1S/C15H12ClNO3S/c1-20-12-7-8-13-14(9-12)17(10-15(13)21(16,18)19)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyXJGOTRLQXGHKRO-UHFFFAOYSA-N
XLogP3.57
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.79
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfinyl)-6-methoxyindole-3-sulfonyl chloride
CID 156572550
3-chloro-N-[(7-methoxy-4-oxo-1-phenylquinolin-3-yl)methyl]benzamide
CID 141352866
3,8-dimethoxy-5-methylphenanthridin-6-one
CID 164597930
6-methoxy-1-phenylbenzimidazole
CID 652633
1-methylindole-3-sulfonyl chloride
CID 55280184
1-(benzenesulfonyl)-N-(4,6-dimethoxy-5-methylpyrimidin-2-yl)-6-methoxyindole-3-sulfonamide
CID 164907844
3,4,7-trimethoxy-1-methylquinolin-2-one
CID 20676861
4-hydroxy-3,7-dimethoxy-1-methylquinolin-2-one
CID 54737447
anisole;methanesulfonyl chloride
CID 162217178
1-[3-[[2-(chloromethyl)phenyl]methoxy]-5-methoxyphenyl]-7-methoxy-4-oxoquinoline-3-carboxylic acid
CID 151632750
1-(benzenesulfonyl)-6-(oxolan-2-ylmethoxy)indole-3-sulfonyl chloride
CID 135201311
1-(4-methoxyphenyl)-3-[2-[1-(4-methoxyphenyl)indol-3-yl]propan-2-yl]indole
CID 59307597

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-phenylindole-3-sulfonyl chloride?
The IUPAC name of 6-methoxy-1-phenylindole-3-sulfonyl chloride (CID 153279336) is 6-methoxy-1-phenylindole-3-sulfonyl chloride.
What is the SMILES notation for 6-methoxy-1-phenylindole-3-sulfonyl chloride?
The canonical SMILES for 6-methoxy-1-phenylindole-3-sulfonyl chloride is COc1ccc2c(S(=O)(=O)Cl)cn(-c3ccccc3)c2c1.
What is the InChIKey of 6-methoxy-1-phenylindole-3-sulfonyl chloride?
The InChIKey is XJGOTRLQXGHKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO3S/c1-20-12-7-8-13-14(9-12)17(10-15(13)21(16,18)19)11-5-3-2-4-6-11/h2-10H,1H3.
What are the key properties of 6-methoxy-1-phenylindole-3-sulfonyl chloride?
6-methoxy-1-phenylindole-3-sulfonyl chloride has a molecular weight of 321.79 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-phenylindole-3-sulfonyl chloride is sourced from PubChem (CID 153279336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).