1-(3-chloro-2-fluorophenyl)sulfonyl-1,7-diazaspiro[3.5]nonane

C13H16ClFN2O2S — CID 172895154

IUPAC1-(3-chloro-2-fluorophenyl)sulfonyl-1,7-diazaspiro[3.5]nonane
SMILESO=S(=O)(c1cccc(Cl)c1F)N1CCC12CCNCC2
InChIInChI=1S/C13H16ClFN2O2S/c14-10-2-1-3-11(12(10)15)20(18,19)17-9-6-13(17)4-7-16-8-5-13/h1-3,16H,4-9H2
InChIKeyDNQLZYDZGQFKMI-UHFFFAOYSA-N
MW318.80 g/mol
LogP2.00
Rot. Bonds2

About 1-(3-chloro-2-fluorophenyl)sulfonyl-1,7-diazaspiro[3.5]nonane

1-(3-chloro-2-fluorophenyl)sulfonyl-1,7-diazaspiro[3.5]nonane (PubChem CID 172895154) has the molecular formula C13H16ClFN2O2S and a molecular weight of 318.80 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)sulfonyl-1,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)sulfonyl-1,7-diazaspiro[3.5]nonane
PubChem CID172895154
Molecular FormulaC13H16ClFN2O2S
Molecular Weight318.80 g/mol
Exact Mass318.06
IUPAC Name1-(3-chloro-2-fluorophenyl)sulfonyl-1,7-diazaspiro[3.5]nonane
SMILESO=S(=O)(c1cccc(Cl)c1F)N1CCC12CCNCC2
InChIInChI=1S/C13H16ClFN2O2S/c14-10-2-1-3-11(12(10)15)20(18,19)17-9-6-13(17)4-7-16-8-5-13/h1-3,16H,4-9H2
InChIKeyDNQLZYDZGQFKMI-UHFFFAOYSA-N
XLogP2.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-2-fluorophenyl)sulfonylpiperazine-2-carbonitrile
CID 79091763
8-(3-chloro-2-fluorophenyl)sulfonyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 75396155
2-(3-chloro-2-fluorophenyl)sulfonyl-4-piperazin-1-yl-1,3-dihydroisoindole
CID 142592122
[(2R)-1-(3-chloro-2-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 66260781
1-(3-chloro-2-fluorophenyl)sulfonylpiperidine-4-carboxylic acid
CID 43361281
5-(3-chloro-2-fluorophenyl)sulfonyl-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66207456
1-(3-chloro-2-fluorophenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120763415
1-(3-chloro-2-fluorophenyl)sulfonyl-4-[(S)-(4-fluorophenyl)-phenylmethyl]piperazine
CID 92772065
(3R)-1-(3-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 94340393
2-[4-(3-chloro-2-fluorophenyl)sulfonylpiperazin-1-yl]ethanol
CID 43428221
4-(3-chloro-2-fluorophenyl)sulfonyl-3-ethylpiperazine-2,6-dione
CID 66068182
(5S)-5-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 95789139

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)sulfonyl-1,7-diazaspiro[3.5]nonane?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)sulfonyl-1,7-diazaspiro[3.5]nonane (CID 172895154) is 1-(3-chloro-2-fluorophenyl)sulfonyl-1,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)sulfonyl-1,7-diazaspiro[3.5]nonane?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)sulfonyl-1,7-diazaspiro[3.5]nonane is O=S(=O)(c1cccc(Cl)c1F)N1CCC12CCNCC2.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)sulfonyl-1,7-diazaspiro[3.5]nonane?
The InChIKey is DNQLZYDZGQFKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O2S/c14-10-2-1-3-11(12(10)15)20(18,19)17-9-6-13(17)4-7-16-8-5-13/h1-3,16H,4-9H2.
What are the key properties of 1-(3-chloro-2-fluorophenyl)sulfonyl-1,7-diazaspiro[3.5]nonane?
1-(3-chloro-2-fluorophenyl)sulfonyl-1,7-diazaspiro[3.5]nonane has a molecular weight of 318.80 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)sulfonyl-1,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 172895154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).