[1-(benzenesulfonyl)-3-(4-fluorophenyl)-5-methoxyindol-2-yl]methanol

C22H18FNO4S — CID 142660213

IUPAC[1-(benzenesulfonyl)-3-(4-fluorophenyl)-5-methoxyindol-2-yl]methanol
SMILESCOc1ccc2c(c1)c(-c1ccc(F)cc1)c(CO)n2S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H18FNO4S/c1-28-17-11-12-20-19(13-17)22(15-7-9-16(23)10-8-15)21(14-25)24(20)29(26,27)18-5-3-2-4-6-18/h2-13,25H,14H2,1H3
InChIKeyHXLDJWYQHJZMSY-UHFFFAOYSA-N
MW411.45 g/mol
LogP4.19
Rot. Bonds5

About [1-(benzenesulfonyl)-3-(4-fluorophenyl)-5-methoxyindol-2-yl]methanol

[1-(benzenesulfonyl)-3-(4-fluorophenyl)-5-methoxyindol-2-yl]methanol (PubChem CID 142660213) has the molecular formula C22H18FNO4S and a molecular weight of 411.45 g/mol. Its IUPAC name is [1-(benzenesulfonyl)-3-(4-fluorophenyl)-5-methoxyindol-2-yl]methanol.

Molecular Properties

Compound Name[1-(benzenesulfonyl)-3-(4-fluorophenyl)-5-methoxyindol-2-yl]methanol
PubChem CID142660213
Molecular FormulaC22H18FNO4S
Molecular Weight411.45 g/mol
Exact Mass411.09
IUPAC Name[1-(benzenesulfonyl)-3-(4-fluorophenyl)-5-methoxyindol-2-yl]methanol
SMILESCOc1ccc2c(c1)c(-c1ccc(F)cc1)c(CO)n2S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H18FNO4S/c1-28-17-11-12-20-19(13-17)22(15-7-9-16(23)10-8-15)21(14-25)24(20)29(26,27)18-5-3-2-4-6-18/h2-13,25H,14H2,1H3
InChIKeyHXLDJWYQHJZMSY-UHFFFAOYSA-N
XLogP4.19
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.45
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(benzenesulfonyl)-5-methoxy-2-methylindole-3-carboxylate
CID 10937613
ethyl 1-(benzenesulfonyl)-2-[(3,4-dimethoxyphenyl)methyl]-5-methoxyindole-3-carboxylate
CID 165341185
ethyl (E)-3-[1-(benzenesulfonyl)-2-(bromomethyl)-5-methoxyindol-3-yl]prop-2-enoate
CID 10050742
2-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]ethanol
CID 21258558
9-[4-(3,6-dimethoxycarbazol-9-yl)sulfonylphenyl]-3,6-dimethoxycarbazole
CID 146530442
1-[5,6-dimethoxy-1-(4-methylphenyl)sulfonyl-3-phenylindol-2-yl]-4,4-dimethylpentan-3-one
CID 102150027
9-(benzenesulfonyl)-6-(4-methoxyphenyl)-2-pentylpyrido[2,3-b]indole
CID 66766255
1-(benzenesulfonyl)-5-(4-fluorophenyl)-2,3-dimethylpyrrole
CID 66925091
9-[4-[2-[4-(benzenesulfonyl)phenyl]phenyl]phenyl]-3,6-dimethoxycarbazole
CID 122683133
2-[1-benzyl-2-(4-fluorophenyl)-5-methoxyindol-3-yl]acetic acid
CID 67649862
[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

Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)-3-(4-fluorophenyl)-5-methoxyindol-2-yl]methanol?
The IUPAC name of [1-(benzenesulfonyl)-3-(4-fluorophenyl)-5-methoxyindol-2-yl]methanol (CID 142660213) is [1-(benzenesulfonyl)-3-(4-fluorophenyl)-5-methoxyindol-2-yl]methanol.
What is the SMILES notation for [1-(benzenesulfonyl)-3-(4-fluorophenyl)-5-methoxyindol-2-yl]methanol?
The canonical SMILES for [1-(benzenesulfonyl)-3-(4-fluorophenyl)-5-methoxyindol-2-yl]methanol is COc1ccc2c(c1)c(-c1ccc(F)cc1)c(CO)n2S(=O)(=O)c1ccccc1.
What is the InChIKey of [1-(benzenesulfonyl)-3-(4-fluorophenyl)-5-methoxyindol-2-yl]methanol?
The InChIKey is HXLDJWYQHJZMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FNO4S/c1-28-17-11-12-20-19(13-17)22(15-7-9-16(23)10-8-15)21(14-25)24(20)29(26,27)18-5-3-2-4-6-18/h2-13,25H,14H2,1H3.
What are the key properties of [1-(benzenesulfonyl)-3-(4-fluorophenyl)-5-methoxyindol-2-yl]methanol?
[1-(benzenesulfonyl)-3-(4-fluorophenyl)-5-methoxyindol-2-yl]methanol has a molecular weight of 411.45 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)-3-(4-fluorophenyl)-5-methoxyindol-2-yl]methanol is sourced from PubChem (CID 142660213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).