1-(benzenesulfonyl)-2-(chloromethyl)indole

C15H12ClNO2S — CID 18925433

IUPAC1-(benzenesulfonyl)-2-(chloromethyl)indole
SMILESO=S(=O)(c1ccccc1)n1c(CCl)cc2ccccc21
InChIInChI=1S/C15H12ClNO2S/c16-11-13-10-12-6-4-5-9-15(12)17(13)20(18,19)14-7-2-1-3-8-14/h1-10H,11H2
InChIKeyOXVHECLNCAQYPY-UHFFFAOYSA-N
MW305.79 g/mol
LogP3.62
Rot. Bonds3

About 1-(benzenesulfonyl)-2-(chloromethyl)indole

1-(benzenesulfonyl)-2-(chloromethyl)indole (PubChem CID 18925433) has the molecular formula C15H12ClNO2S and a molecular weight of 305.79 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-(chloromethyl)indole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-(chloromethyl)indole
PubChem CID18925433
Molecular FormulaC15H12ClNO2S
Molecular Weight305.79 g/mol
Exact Mass305.03
IUPAC Name1-(benzenesulfonyl)-2-(chloromethyl)indole
SMILESO=S(=O)(c1ccccc1)n1c(CCl)cc2ccccc21
InChIInChI=1S/C15H12ClNO2S/c16-11-13-10-12-6-4-5-9-15(12)17(13)20(18,19)14-7-2-1-3-8-14/h1-10H,11H2
InChIKeyOXVHECLNCAQYPY-UHFFFAOYSA-N
XLogP3.62
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(Phenylsulfonyl)-1H-indole
CID 315017
4-(1~{H}-indol-2-yl)benzenesulfonamide
CID 127029020
1-(Benzenesulfonyl)-3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)indole
CID 11187925
JCF-177 free base
CID 6918748
6-Chloro-1-phenylsulfonylindole
CID 506828
1-ethyl-2-methyl-3-[1-(phenylsulfonyl)-1,2,3,6-tetrahydropyridin-4-yl]-1H-indole
CID 6622557
3-[1-(4-Chlorobenzenesulfonyl)-1,2,3,6-tetrahydropyridin-4-YL]-1,2-dimethyl-1H-indole
CID 15945107
4-Carbazol-9-ylsulfonylaniline;hydrochloride
CID 71450930
4-[1-(Benzenesulfonyl)indol-2-yl]benzenesulfonamide
CID 127037881
1-((4-Methylphenyl)sulfonyl)-2,3-diphenyl-1H-indole
CID 372863
1-(4-Chlorophenyl)sulfonylindole
CID 4689237
1-(4-Methylphenyl)sulfonyl-2-phenylindole
CID 24905446

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2-(chloromethyl)indole?
The IUPAC name of 1-(benzenesulfonyl)-2-(chloromethyl)indole (CID 18925433) is 1-(benzenesulfonyl)-2-(chloromethyl)indole.
What is the SMILES notation for 1-(benzenesulfonyl)-2-(chloromethyl)indole?
The canonical SMILES for 1-(benzenesulfonyl)-2-(chloromethyl)indole is O=S(=O)(c1ccccc1)n1c(CCl)cc2ccccc21.
What is the InChIKey of 1-(benzenesulfonyl)-2-(chloromethyl)indole?
The InChIKey is OXVHECLNCAQYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2S/c16-11-13-10-12-6-4-5-9-15(12)17(13)20(18,19)14-7-2-1-3-8-14/h1-10H,11H2.
What are the key properties of 1-(benzenesulfonyl)-2-(chloromethyl)indole?
1-(benzenesulfonyl)-2-(chloromethyl)indole has a molecular weight of 305.79 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-(chloromethyl)indole is sourced from PubChem (CID 18925433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).