[1-[4-[4-chloro-3-(8-oxa-11-azadispiro[2.1.35.33]undecan-11-yl)indazol-1-yl]sulfonylphenyl]-1-fluoroethyl]phosphane

C24H26ClFN3O3PS — CID 170607833

IUPAC[1-[4-[4-chloro-3-(8-oxa-11-azadispiro[2.1.35.33]undecan-11-yl)indazol-1-yl]sulfonylphenyl]-1-fluoroethyl]phosphane
SMILESCC(F)(P)c1ccc(S(=O)(=O)n2nc(N3CCC4(CCO4)CC34CC4)c3c(Cl)cccc32)cc1
InChIInChI=1S/C24H26ClFN3O3PS/c1-22(26,33)16-5-7-17(8-6-16)34(30,31)29-19-4-2-3-18(25)20(19)21(27-29)28-13-11-24(12-14-32-24)15-23(28)9-10-23/h2-8H,9-15,33H2,1H3
InChIKeyRMQDJMGATSNLRS-UHFFFAOYSA-N
MW521.98 g/mol
LogP5.24
Rot. Bonds4

About [1-[4-[4-chloro-3-(8-oxa-11-azadispiro[2.1.35.33]undecan-11-yl)indazol-1-yl]sulfonylphenyl]-1-fluoroethyl]phosphane

[1-[4-[4-chloro-3-(8-oxa-11-azadispiro[2.1.35.33]undecan-11-yl)indazol-1-yl]sulfonylphenyl]-1-fluoroethyl]phosphane (PubChem CID 170607833) has the molecular formula C24H26ClFN3O3PS and a molecular weight of 521.98 g/mol. Its IUPAC name is [1-[4-[4-chloro-3-(8-oxa-11-azadispiro[2.1.35.33]undecan-11-yl)indazol-1-yl]sulfonylphenyl]-1-fluoroethyl]phosphane.

Molecular Properties

Compound Name[1-[4-[4-chloro-3-(8-oxa-11-azadispiro[2.1.35.33]undecan-11-yl)indazol-1-yl]sulfonylphenyl]-1-fluoroethyl]phosphane
PubChem CID170607833
Molecular FormulaC24H26ClFN3O3PS
Molecular Weight521.98 g/mol
Exact Mass521.11
IUPAC Name[1-[4-[4-chloro-3-(8-oxa-11-azadispiro[2.1.35.33]undecan-11-yl)indazol-1-yl]sulfonylphenyl]-1-fluoroethyl]phosphane
SMILESCC(F)(P)c1ccc(S(=O)(=O)n2nc(N3CCC4(CCO4)CC34CC4)c3c(Cl)cccc32)cc1
InChIInChI=1S/C24H26ClFN3O3PS/c1-22(26,33)16-5-7-17(8-6-16)34(30,31)29-19-4-2-3-18(25)20(19)21(27-29)28-13-11-24(12-14-32-24)15-23(28)9-10-23/h2-8H,9-15,33H2,1H3
InChIKeyRMQDJMGATSNLRS-UHFFFAOYSA-N
XLogP5.24
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.98
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[4-chloro-1-(4-methylphenyl)sulfonylindazol-3-yl]-4,7-diazaspiro[2.5]octan-7-yl]-2-methylpropane-1,3-diol
CID 170608129
4-chloro-1-[4-(1,1-difluoroethyl)phenyl]sulfonyl-3-(5,5,7-trifluorospiro[2.4]heptan-7-yl)indazole
CID 176557035
4-chloro-3-(3,3-difluorocyclopentyl)-1-[4-(1,1-difluoroethyl)phenyl]sulfonylindole
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5-[4-chloro-3-(4,4-dimethylpiperidin-1-yl)indazol-1-yl]sulfonyl-N,N-dimethylthiophene-2-sulfonamide
CID 175714173
4-[1-(4-methylphenyl)sulfonylindazol-3-yl]morpholine
CID 101434864
1-(benzenesulfonyl)-3-(2,5-dimethylpyrrol-1-yl)-4-fluoroindazole
CID 2809939
N,N-dimethyl-4-[3-(3-oxa-9-azaspiro[5.5]undecan-9-yl)indazol-1-yl]sulfonylbenzenesulfonamide
CID 156504188
1,1,1-trifluoro-2-(4-piperidin-1-ylsulfonylphenyl)propan-2-ol
CID 11681587
8-(4-tert-butylphenyl)sulfonyl-1-oxa-4-thia-8-azaspiro[4.5]decane
CID 90510743
N-(2,6-dichlorophenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 112769183
1-(2,3-dichlorophenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81103333
1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-piperidin-1-ylbenzimidazole
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Frequently Asked Questions

What is the IUPAC name of [1-[4-[4-chloro-3-(8-oxa-11-azadispiro[2.1.35.33]undecan-11-yl)indazol-1-yl]sulfonylphenyl]-1-fluoroethyl]phosphane?
The IUPAC name of [1-[4-[4-chloro-3-(8-oxa-11-azadispiro[2.1.35.33]undecan-11-yl)indazol-1-yl]sulfonylphenyl]-1-fluoroethyl]phosphane (CID 170607833) is [1-[4-[4-chloro-3-(8-oxa-11-azadispiro[2.1.35.33]undecan-11-yl)indazol-1-yl]sulfonylphenyl]-1-fluoroethyl]phosphane.
What is the SMILES notation for [1-[4-[4-chloro-3-(8-oxa-11-azadispiro[2.1.35.33]undecan-11-yl)indazol-1-yl]sulfonylphenyl]-1-fluoroethyl]phosphane?
The canonical SMILES for [1-[4-[4-chloro-3-(8-oxa-11-azadispiro[2.1.35.33]undecan-11-yl)indazol-1-yl]sulfonylphenyl]-1-fluoroethyl]phosphane is CC(F)(P)c1ccc(S(=O)(=O)n2nc(N3CCC4(CCO4)CC34CC4)c3c(Cl)cccc32)cc1.
What is the InChIKey of [1-[4-[4-chloro-3-(8-oxa-11-azadispiro[2.1.35.33]undecan-11-yl)indazol-1-yl]sulfonylphenyl]-1-fluoroethyl]phosphane?
The InChIKey is RMQDJMGATSNLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClFN3O3PS/c1-22(26,33)16-5-7-17(8-6-16)34(30,31)29-19-4-2-3-18(25)20(19)21(27-29)28-13-11-24(12-14-32-24)15-23(28)9-10-23/h2-8H,9-15,33H2,1H3.
What are the key properties of [1-[4-[4-chloro-3-(8-oxa-11-azadispiro[2.1.35.33]undecan-11-yl)indazol-1-yl]sulfonylphenyl]-1-fluoroethyl]phosphane?
[1-[4-[4-chloro-3-(8-oxa-11-azadispiro[2.1.35.33]undecan-11-yl)indazol-1-yl]sulfonylphenyl]-1-fluoroethyl]phosphane has a molecular weight of 521.98 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[4-chloro-3-(8-oxa-11-azadispiro[2.1.35.33]undecan-11-yl)indazol-1-yl]sulfonylphenyl]-1-fluoroethyl]phosphane is sourced from PubChem (CID 170607833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).