1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpiperidin-4-amine

C12H16ClFN2O2S — CID 119959051

IUPAC1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpiperidin-4-amine
SMILESCc1cc(S(=O)(=O)N2CCC(N)CC2)c(Cl)cc1F
InChIInChI=1S/C12H16ClFN2O2S/c1-8-6-12(10(13)7-11(8)14)19(17,18)16-4-2-9(15)3-5-16/h6-7,9H,2-5,15H2,1H3
InChIKeyANEOPPDBDQUKLG-UHFFFAOYSA-N
MW306.79 g/mol
LogP1.90
Rot. Bonds2

About 1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpiperidin-4-amine

1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpiperidin-4-amine (PubChem CID 119959051) has the molecular formula C12H16ClFN2O2S and a molecular weight of 306.79 g/mol. Its IUPAC name is 1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpiperidin-4-amine
PubChem CID119959051
Molecular FormulaC12H16ClFN2O2S
Molecular Weight306.79 g/mol
Exact Mass306.06
IUPAC Name1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpiperidin-4-amine
SMILESCc1cc(S(=O)(=O)N2CCC(N)CC2)c(Cl)cc1F
InChIInChI=1S/C12H16ClFN2O2S/c1-8-6-12(10(13)7-11(8)14)19(17,18)16-4-2-9(15)3-5-16/h6-7,9H,2-5,15H2,1H3
InChIKeyANEOPPDBDQUKLG-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-Dichloro-5-methyl-N-(2,2,6,6-tetramethyl-piperidin-4-yl)-benzenesulfonamide
CID 991863
N-[[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpyrrolidin-3-yl]methyl]-N-methylethanamine
CID 71918618
2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 3936034
1-[2-Chloro-5-(trifluoromethyl)benzenesulfonyl]piperidine
CID 801298
3-chloro-4-fluoro-N-((1-isopropylpiperidin-4-yl)methyl)benzenesulfonamide
CID 16887526
2-chloro-N-[2-(diethylamino)ethyl]-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 45262346
2-chloro-3-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 75444453
2-chloro-N-(1-ethylsulfonylpiperidin-4-yl)-4-fluorobenzenesulfonamide
CID 25549462
2-chloro-N-((1-isopropylpiperidin-4-yl)methyl)benzenesulfonamide
CID 16887518
5-chloro-N-((1-isopropylpiperidin-4-yl)methyl)-2-methylbenzenesulfonamide
CID 16887571
1-[2-Chloro-5-(trifluoromethyl)benzenesulfonyl]piperazine
CID 2443157
N-[1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]benzenesulfonamide
CID 17393405

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpiperidin-4-amine?
The IUPAC name of 1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpiperidin-4-amine (CID 119959051) is 1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpiperidin-4-amine.
What is the SMILES notation for 1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpiperidin-4-amine?
The canonical SMILES for 1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpiperidin-4-amine is Cc1cc(S(=O)(=O)N2CCC(N)CC2)c(Cl)cc1F.
What is the InChIKey of 1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpiperidin-4-amine?
The InChIKey is ANEOPPDBDQUKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O2S/c1-8-6-12(10(13)7-11(8)14)19(17,18)16-4-2-9(15)3-5-16/h6-7,9H,2-5,15H2,1H3.
What are the key properties of 1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpiperidin-4-amine?
1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpiperidin-4-amine has a molecular weight of 306.79 g/mol, XLogP of 1.90, 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)sulfonylpiperidin-4-amine is sourced from PubChem (CID 119959051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).