9-(2-chlorophenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane

C14H18ClNO4S — CID 3766966

IUPAC9-(2-chlorophenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
SMILESO=S(=O)(c1ccccc1Cl)N1CCC2(CC1)OCCCO2
InChIInChI=1S/C14H18ClNO4S/c15-12-4-1-2-5-13(12)21(17,18)16-8-6-14(7-9-16)19-10-3-11-20-14/h1-2,4-5H,3,6-11H2
InChIKeyYNWJEDWKLLDKBM-UHFFFAOYSA-N
MW331.82 g/mol
LogP2.26
Rot. Bonds2

About 9-(2-chlorophenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane

9-(2-chlorophenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane (PubChem CID 3766966) has the molecular formula C14H18ClNO4S and a molecular weight of 331.82 g/mol. Its IUPAC name is 9-(2-chlorophenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(2-chlorophenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
PubChem CID3766966
Molecular FormulaC14H18ClNO4S
Molecular Weight331.82 g/mol
Exact Mass331.06
IUPAC Name9-(2-chlorophenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
SMILESO=S(=O)(c1ccccc1Cl)N1CCC2(CC1)OCCCO2
InChIInChI=1S/C14H18ClNO4S/c15-12-4-1-2-5-13(12)21(17,18)16-8-6-14(7-9-16)19-10-3-11-20-14/h1-2,4-5H,3,6-11H2
InChIKeyYNWJEDWKLLDKBM-UHFFFAOYSA-N
XLogP2.26
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.82
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 3516792
9-(2,4-dichloro-5-methylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 3774926
4-(2-chlorophenyl)sulfonylmorpholine
CID 7938037
8-(2-chlorophenyl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 42109545
9-(3-chloro-4-fluorophenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 23909983
8-quinolin-8-ylsulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 22772866
8-(2-chlorophenyl)sulfonyl-2-phenyl-2,8-diazaspiro[4.5]decan-1-one
CID 123139867
1-(2-chlorophenyl)sulfonylpiperidin-3-amine
CID 43123365
1-(2-chlorophenyl)sulfonyl-4-ethylpiperidine-4-carboxylic acid
CID 63125671
N-(2-chlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-4-fluorobenzamide
CID 4216299
[(3S)-1-(2-chlorophenyl)sulfonyl-3-ethylpiperidin-3-yl]methanol
CID 97133385
(4R)-8-(2-chlorophenyl)sulfonyl-4-(2-ethoxyethyl)-1-oxa-8-azaspiro[4.5]decane
CID 124870257

Frequently Asked Questions

What is the IUPAC name of 9-(2-chlorophenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane?
The IUPAC name of 9-(2-chlorophenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane (CID 3766966) is 9-(2-chlorophenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 9-(2-chlorophenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 9-(2-chlorophenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane is O=S(=O)(c1ccccc1Cl)N1CCC2(CC1)OCCCO2.
What is the InChIKey of 9-(2-chlorophenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane?
The InChIKey is YNWJEDWKLLDKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO4S/c15-12-4-1-2-5-13(12)21(17,18)16-8-6-14(7-9-16)19-10-3-11-20-14/h1-2,4-5H,3,6-11H2.
What are the key properties of 9-(2-chlorophenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane?
9-(2-chlorophenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane has a molecular weight of 331.82 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-chlorophenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 3766966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).