[1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]indol-4-yl]oxymethyl formate

C21H21FN2O5S — CID 88573937

IUPAC[1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]indol-4-yl]oxymethyl formate
SMILESO=COCOc1cccc2c1ccn2C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H21FN2O5S/c22-16-4-6-18(7-5-16)30(26,27)23-11-8-17(9-12-23)24-13-10-19-20(24)2-1-3-21(19)29-15-28-14-25/h1-7,10,13-14,17H,8-9,11-12,15H2
InChIKeyOCVRYAMSKFSEIV-UHFFFAOYSA-N
MW432.47 g/mol
LogP3.32
Rot. Bonds7

About [1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]indol-4-yl]oxymethyl formate

[1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]indol-4-yl]oxymethyl formate (PubChem CID 88573937) has the molecular formula C21H21FN2O5S and a molecular weight of 432.47 g/mol. Its IUPAC name is [1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]indol-4-yl]oxymethyl formate.

Molecular Properties

Compound Name[1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]indol-4-yl]oxymethyl formate
PubChem CID88573937
Molecular FormulaC21H21FN2O5S
Molecular Weight432.47 g/mol
Exact Mass432.12
IUPAC Name[1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]indol-4-yl]oxymethyl formate
SMILESO=COCOc1cccc2c1ccn2C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H21FN2O5S/c22-16-4-6-18(7-5-16)30(26,27)23-11-8-17(9-12-23)24-13-10-19-20(24)2-1-3-21(19)29-15-28-14-25/h1-7,10,13-14,17H,8-9,11-12,15H2
InChIKeyOCVRYAMSKFSEIV-UHFFFAOYSA-N
XLogP3.32
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.47
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[1-[(3R)-1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]indol-4-yl]oxyacetaldehyde
CID 88578525
5-fluoro-1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]benzimidazole
CID 1462299
1-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]benzimidazole
CID 23641500
O-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]hydroxylamine
CID 39390371
1-(4-fluorophenyl)sulfonyl-4-(methoxymethyl)piperidine
CID 63978614
1-(3-fluorophenyl)sulfonyl-4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidine
CID 91905089
2-[6-fluoro-1-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-4-yl]indol-3-yl]acetaldehyde
CID 88578513
3-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-7-fluoroquinazolin-4-one
CID 53113858
3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1,3-thiazolidine-2,4-dione
CID 121157155
1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-4-phenylpiperazine
CID 1333953
N,N-diethyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 1090954
3-bromo-1-(4-fluorophenyl)sulfonylpyrrolidine
CID 80666772

Frequently Asked Questions

What is the IUPAC name of [1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]indol-4-yl]oxymethyl formate?
The IUPAC name of [1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]indol-4-yl]oxymethyl formate (CID 88573937) is [1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]indol-4-yl]oxymethyl formate.
What is the SMILES notation for [1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]indol-4-yl]oxymethyl formate?
The canonical SMILES for [1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]indol-4-yl]oxymethyl formate is O=COCOc1cccc2c1ccn2C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of [1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]indol-4-yl]oxymethyl formate?
The InChIKey is OCVRYAMSKFSEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O5S/c22-16-4-6-18(7-5-16)30(26,27)23-11-8-17(9-12-23)24-13-10-19-20(24)2-1-3-21(19)29-15-28-14-25/h1-7,10,13-14,17H,8-9,11-12,15H2.
What are the key properties of [1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]indol-4-yl]oxymethyl formate?
[1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]indol-4-yl]oxymethyl formate has a molecular weight of 432.47 g/mol, XLogP of 3.32, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]indol-4-yl]oxymethyl formate is sourced from PubChem (CID 88573937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).