[1-(benzenesulfonyl)-5-chloroindol-2-yl]-(3,4,5-trimethoxyphenyl)methanone

C24H20ClNO6S — CID 56646601

IUPAC[1-(benzenesulfonyl)-5-chloroindol-2-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cc3cc(Cl)ccc3n2S(=O)(=O)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C24H20ClNO6S/c1-30-21-13-16(14-22(31-2)24(21)32-3)23(27)20-12-15-11-17(25)9-10-19(15)26(20)33(28,29)18-7-5-4-6-8-18/h4-14H,1-3H3
InChIKeyBZNOZTHFSFBXIO-UHFFFAOYSA-N
MW485.95 g/mol
LogP4.79
Rot. Bonds7

About [1-(benzenesulfonyl)-5-chloroindol-2-yl]-(3,4,5-trimethoxyphenyl)methanone

[1-(benzenesulfonyl)-5-chloroindol-2-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 56646601) has the molecular formula C24H20ClNO6S and a molecular weight of 485.95 g/mol. Its IUPAC name is [1-(benzenesulfonyl)-5-chloroindol-2-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[1-(benzenesulfonyl)-5-chloroindol-2-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID56646601
Molecular FormulaC24H20ClNO6S
Molecular Weight485.95 g/mol
Exact Mass485.07
IUPAC Name[1-(benzenesulfonyl)-5-chloroindol-2-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cc3cc(Cl)ccc3n2S(=O)(=O)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C24H20ClNO6S/c1-30-21-13-16(14-22(31-2)24(21)32-3)23(27)20-12-15-11-17(25)9-10-19(15)26(20)33(28,29)18-7-5-4-6-8-18/h4-14H,1-3H3
InChIKeyBZNOZTHFSFBXIO-UHFFFAOYSA-N
XLogP4.79
TPSA83.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.95
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(2,3-dimethoxyphenyl)methanone
CID 10863318
[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(2-chloro-6-fluorophenyl)methanone
CID 11134025
methyl 2-[[1-(benzenesulfonyl)-5-chloroindol-2-yl]methoxy]acetate
CID 68676184
[1-(benzenesulfonyl)-5-phenylmethoxyindol-2-yl]-(3-methoxyphenyl)methanone
CID 10929155
ethyl 3-amino-4-[[1-(benzenesulfonyl)-5-chloroindole-2-carbonyl]amino]benzoate
CID 139995122
[1-(benzenesulfonyl)indol-2-yl]-naphthalen-2-ylmethanone
CID 56955530
methyl 2-[3-amino-4-[[1-(benzenesulfonyl)-5-chloroindole-2-carbonyl]amino]phenoxy]propanoate
CID 139995200
(1,5-dimethylindol-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 71028644
1-(benzenesulfonyl)indole-2-carbonyl chloride
CID 2776221
[1-(4-chlorophenyl)sulfonylindol-2-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanone
CID 135257019
[1-(benzenesulfonyl)-5-fluoroindol-2-yl]-[1-(benzenesulfonyl)-5-phenylmethoxyindol-2-yl]methanone
CID 11513080
1-(benzenesulfonyl)-5-chloro-2-thiophen-2-ylindole
CID 174370834

Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)-5-chloroindol-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [1-(benzenesulfonyl)-5-chloroindol-2-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 56646601) is [1-(benzenesulfonyl)-5-chloroindol-2-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [1-(benzenesulfonyl)-5-chloroindol-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [1-(benzenesulfonyl)-5-chloroindol-2-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2cc3cc(Cl)ccc3n2S(=O)(=O)c2ccccc2)cc(OC)c1OC.
What is the InChIKey of [1-(benzenesulfonyl)-5-chloroindol-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is BZNOZTHFSFBXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClNO6S/c1-30-21-13-16(14-22(31-2)24(21)32-3)23(27)20-12-15-11-17(25)9-10-19(15)26(20)33(28,29)18-7-5-4-6-8-18/h4-14H,1-3H3.
What are the key properties of [1-(benzenesulfonyl)-5-chloroindol-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
[1-(benzenesulfonyl)-5-chloroindol-2-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 485.95 g/mol, XLogP of 4.79, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)-5-chloroindol-2-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 56646601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).