9-(3-chloro-4-fluorophenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane

C14H17ClFNO4S — CID 23909983

IUPAC9-(3-chloro-4-fluorophenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
SMILESO=S(=O)(c1ccc(F)c(Cl)c1)N1CCC2(CC1)OCCCO2
InChIInChI=1S/C14H17ClFNO4S/c15-12-10-11(2-3-13(12)16)22(18,19)17-6-4-14(5-7-17)20-8-1-9-21-14/h2-3,10H,1,4-9H2
InChIKeyHXBAHCNKLCLNQW-UHFFFAOYSA-N
MW349.81 g/mol
LogP2.40
Rot. Bonds2

About 9-(3-chloro-4-fluorophenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane

9-(3-chloro-4-fluorophenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane (PubChem CID 23909983) has the molecular formula C14H17ClFNO4S and a molecular weight of 349.81 g/mol. Its IUPAC name is 9-(3-chloro-4-fluorophenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(3-chloro-4-fluorophenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
PubChem CID23909983
Molecular FormulaC14H17ClFNO4S
Molecular Weight349.81 g/mol
Exact Mass349.06
IUPAC Name9-(3-chloro-4-fluorophenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
SMILESO=S(=O)(c1ccc(F)c(Cl)c1)N1CCC2(CC1)OCCCO2
InChIInChI=1S/C14H17ClFNO4S/c15-12-10-11(2-3-13(12)16)22(18,19)17-6-4-14(5-7-17)20-8-1-9-21-14/h2-3,10H,1,4-9H2
InChIKeyHXBAHCNKLCLNQW-UHFFFAOYSA-N
XLogP2.40
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.81
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine
CID 697773
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CID 31814418
N-(2,4-dichlorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-2-fluorobenzamide
CID 3589301
9-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 3858399
9-(2-chlorophenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 3766966
9-(3-methoxyphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 90510515
1-(3-chloro-4-fluorophenyl)sulfonyl-1,4-diazepane
CID 43361733
N-(3-chloro-4-fluorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-3-methyl-1-benzofuran-2-carboxamide
CID 4530457
4-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]morpholine
CID 60540053
9-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 3516792
8-(3-chloro-4-fluorophenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxylic acid
CID 91119214
1-(3-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidine
CID 697831

Frequently Asked Questions

What is the IUPAC name of 9-(3-chloro-4-fluorophenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane?
The IUPAC name of 9-(3-chloro-4-fluorophenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane (CID 23909983) is 9-(3-chloro-4-fluorophenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 9-(3-chloro-4-fluorophenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 9-(3-chloro-4-fluorophenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane is O=S(=O)(c1ccc(F)c(Cl)c1)N1CCC2(CC1)OCCCO2.
What is the InChIKey of 9-(3-chloro-4-fluorophenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane?
The InChIKey is HXBAHCNKLCLNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO4S/c15-12-10-11(2-3-13(12)16)22(18,19)17-6-4-14(5-7-17)20-8-1-9-21-14/h2-3,10H,1,4-9H2.
What are the key properties of 9-(3-chloro-4-fluorophenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane?
9-(3-chloro-4-fluorophenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane has a molecular weight of 349.81 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-chloro-4-fluorophenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 23909983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).