1-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine

C14H20ClFN2O2S — CID 120779646

IUPAC1-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine
SMILESCc1cc(S(=O)(=O)N2CCC(N)C(C)(C)C2)c(Cl)cc1F
InChIInChI=1S/C14H20ClFN2O2S/c1-9-6-12(10(15)7-11(9)16)21(19,20)18-5-4-13(17)14(2,3)8-18/h6-7,13H,4-5,8,17H2,1-3H3
InChIKeyXEZRVPKZVMUTBG-UHFFFAOYSA-N
MW334.84 g/mol
LogP2.54
Rot. Bonds2

About 1-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine

1-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine (PubChem CID 120779646) has the molecular formula C14H20ClFN2O2S and a molecular weight of 334.84 g/mol. Its IUPAC name is 1-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine
PubChem CID120779646
Molecular FormulaC14H20ClFN2O2S
Molecular Weight334.84 g/mol
Exact Mass334.09
IUPAC Name1-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine
SMILESCc1cc(S(=O)(=O)N2CCC(N)C(C)(C)C2)c(Cl)cc1F
InChIInChI=1S/C14H20ClFN2O2S/c1-9-6-12(10(15)7-11(9)16)21(19,20)18-5-4-13(17)14(2,3)8-18/h6-7,13H,4-5,8,17H2,1-3H3
InChIKeyXEZRVPKZVMUTBG-UHFFFAOYSA-N
XLogP2.54
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.84
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-4-methylphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine
CID 120779997
[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-3-methylpyrrolidin-3-yl]methanamine
CID 120777896
[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 119971913
1-(4-fluoro-2-methylphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120779305
1-[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 119978143
3,3-dimethyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine
CID 120779666
1-[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119977593
1-(2-fluoro-4-methoxyphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120779398
1-[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 119984302
1-[(5-chloro-1-benzothiophen-3-yl)sulfonyl]-3,3-dimethylpiperidin-4-amine
CID 120779638
1-(5-bromo-2-methylthiophen-3-yl)sulfonyl-3,3-dimethylpiperidin-4-amine
CID 120779642
(3aS,6aR)-5-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120665189

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine?
The IUPAC name of 1-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine (CID 120779646) is 1-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine is Cc1cc(S(=O)(=O)N2CCC(N)C(C)(C)C2)c(Cl)cc1F.
What is the InChIKey of 1-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine?
The InChIKey is XEZRVPKZVMUTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2O2S/c1-9-6-12(10(15)7-11(9)16)21(19,20)18-5-4-13(17)14(2,3)8-18/h6-7,13H,4-5,8,17H2,1-3H3.
What are the key properties of 1-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine?
1-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine has a molecular weight of 334.84 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 120779646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).