1-(3-chloro-2-fluorophenyl)sulfonyl-5-methylpiperidin-3-amine

C12H16ClFN2O2S — CID 79994182

IUPAC1-(3-chloro-2-fluorophenyl)sulfonyl-5-methylpiperidin-3-amine
SMILESCC1CC(N)CN(S(=O)(=O)c2cccc(Cl)c2F)C1
InChIInChI=1S/C12H16ClFN2O2S/c1-8-5-9(15)7-16(6-8)19(17,18)11-4-2-3-10(13)12(11)14/h2-4,8-9H,5-7,15H2,1H3
InChIKeyFRYGSOQRPTZIQK-UHFFFAOYSA-N
MW306.79 g/mol
LogP1.84
Rot. Bonds2

About 1-(3-chloro-2-fluorophenyl)sulfonyl-5-methylpiperidin-3-amine

1-(3-chloro-2-fluorophenyl)sulfonyl-5-methylpiperidin-3-amine (PubChem CID 79994182) has the molecular formula C12H16ClFN2O2S and a molecular weight of 306.79 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)sulfonyl-5-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)sulfonyl-5-methylpiperidin-3-amine
PubChem CID79994182
Molecular FormulaC12H16ClFN2O2S
Molecular Weight306.79 g/mol
Exact Mass306.06
IUPAC Name1-(3-chloro-2-fluorophenyl)sulfonyl-5-methylpiperidin-3-amine
SMILESCC1CC(N)CN(S(=O)(=O)c2cccc(Cl)c2F)C1
InChIInChI=1S/C12H16ClFN2O2S/c1-8-5-9(15)7-16(6-8)19(17,18)11-4-2-3-10(13)12(11)14/h2-4,8-9H,5-7,15H2,1H3
InChIKeyFRYGSOQRPTZIQK-UHFFFAOYSA-N
XLogP1.84
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(3-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 94340393
1-(2-chloro-4-methylphenyl)sulfonyl-5-methylpiperidin-3-amine
CID 79992997
2-[1-(3-chloro-2-fluorophenyl)sulfonylazetidin-3-yl]propanoic acid
CID 116681791
5-methyl-1-quinolin-5-ylsulfonylpiperidin-3-amine
CID 104774086
1-[1-(3-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 63263968
2-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 120727311
1-(3-chloro-2-fluorophenyl)sulfonylpiperidine-4-carboxylic acid
CID 43361281
[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]methanol
CID 43589685
(3S,5S)-3,5-dimethyl-1-(2,3,4-trichlorophenyl)sulfonylpiperidine
CID 124680623
1-(4-bromophenyl)sulfonyl-5-methylpiperidin-3-amine
CID 79994044
2-[4-(3-chloro-2-fluorophenyl)sulfonylpiperazin-1-yl]ethanol
CID 43428221
5-(3-chloro-2-fluorophenyl)sulfonyl-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66207456

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)sulfonyl-5-methylpiperidin-3-amine?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)sulfonyl-5-methylpiperidin-3-amine (CID 79994182) is 1-(3-chloro-2-fluorophenyl)sulfonyl-5-methylpiperidin-3-amine.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)sulfonyl-5-methylpiperidin-3-amine?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)sulfonyl-5-methylpiperidin-3-amine is CC1CC(N)CN(S(=O)(=O)c2cccc(Cl)c2F)C1.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)sulfonyl-5-methylpiperidin-3-amine?
The InChIKey is FRYGSOQRPTZIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O2S/c1-8-5-9(15)7-16(6-8)19(17,18)11-4-2-3-10(13)12(11)14/h2-4,8-9H,5-7,15H2,1H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)sulfonyl-5-methylpiperidin-3-amine?
1-(3-chloro-2-fluorophenyl)sulfonyl-5-methylpiperidin-3-amine has a molecular weight of 306.79 g/mol, XLogP of 1.84, 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-5-methylpiperidin-3-amine is sourced from PubChem (CID 79994182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).