[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(2-chloro-6-fluorophenyl)methanone

C22H15ClFNO4S — CID 11134025

IUPAC[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(2-chloro-6-fluorophenyl)methanone
SMILESCOc1ccc2c(c1)cc(C(=O)c1c(F)cccc1Cl)n2S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H15ClFNO4S/c1-29-15-10-11-19-14(12-15)13-20(22(26)21-17(23)8-5-9-18(21)24)25(19)30(27,28)16-6-3-2-4-7-16/h2-13H,1H3
InChIKeyAVWLHFPINOIVGD-UHFFFAOYSA-N
MW443.88 g/mol
LogP4.91
Rot. Bonds5

About [1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(2-chloro-6-fluorophenyl)methanone

[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(2-chloro-6-fluorophenyl)methanone (PubChem CID 11134025) has the molecular formula C22H15ClFNO4S and a molecular weight of 443.88 g/mol. Its IUPAC name is [1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(2-chloro-6-fluorophenyl)methanone.

Molecular Properties

Compound Name[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(2-chloro-6-fluorophenyl)methanone
PubChem CID11134025
Molecular FormulaC22H15ClFNO4S
Molecular Weight443.88 g/mol
Exact Mass443.04
IUPAC Name[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(2-chloro-6-fluorophenyl)methanone
SMILESCOc1ccc2c(c1)cc(C(=O)c1c(F)cccc1Cl)n2S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H15ClFNO4S/c1-29-15-10-11-19-14(12-15)13-20(22(26)21-17(23)8-5-9-18(21)24)25(19)30(27,28)16-6-3-2-4-7-16/h2-13H,1H3
InChIKeyAVWLHFPINOIVGD-UHFFFAOYSA-N
XLogP4.91
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.88
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(2,4-dimethoxyphenyl)methanone
CID 11730089
[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(2,3-dimethoxyphenyl)methanone
CID 10863318
[1-(benzenesulfonyl)-5-phenylmethoxyindol-2-yl]-(3-methoxyphenyl)methanone
CID 10929155
[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(1-benzofuran-5-yl)methanone
CID 121485521
[1-(benzenesulfonyl)-5-chloroindol-2-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 56646601
[1-(benzenesulfonyl)-5-fluoroindol-2-yl]-[1-(benzenesulfonyl)-5-phenylmethoxyindol-2-yl]methanone
CID 11513080
[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(4-methoxyphenyl)methanol
CID 10916853
[1-(benzenesulfonyl)indol-2-yl]-[1-(benzenesulfonyl)-5-methoxyindol-2-yl]methanol
CID 10603182
1-[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-4,4-dimethoxycyclohexa-2,5-dien-1-ol
CID 11247697
methyl 2-[3-amino-4-[[1-(benzenesulfonyl)-5-chloroindole-2-carbonyl]amino]phenoxy]propanoate
CID 139995200
(2,6-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 43561133
[1-(benzenesulfonyl)indol-2-yl]-naphthalen-2-ylmethanone
CID 56955530

Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(2-chloro-6-fluorophenyl)methanone?
The IUPAC name of [1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(2-chloro-6-fluorophenyl)methanone (CID 11134025) is [1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(2-chloro-6-fluorophenyl)methanone.
What is the SMILES notation for [1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(2-chloro-6-fluorophenyl)methanone?
The canonical SMILES for [1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(2-chloro-6-fluorophenyl)methanone is COc1ccc2c(c1)cc(C(=O)c1c(F)cccc1Cl)n2S(=O)(=O)c1ccccc1.
What is the InChIKey of [1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(2-chloro-6-fluorophenyl)methanone?
The InChIKey is AVWLHFPINOIVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClFNO4S/c1-29-15-10-11-19-14(12-15)13-20(22(26)21-17(23)8-5-9-18(21)24)25(19)30(27,28)16-6-3-2-4-7-16/h2-13H,1H3.
What are the key properties of [1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(2-chloro-6-fluorophenyl)methanone?
[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(2-chloro-6-fluorophenyl)methanone has a molecular weight of 443.88 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(2-chloro-6-fluorophenyl)methanone is sourced from PubChem (CID 11134025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).