1-[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine

C14H20ClFN2O2S — CID 119978143

IUPAC1-[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(S(=O)(=O)c2cc(C)c(F)cc2Cl)CC1
InChIInChI=1S/C14H20ClFN2O2S/c1-10-7-14(12(15)8-13(10)16)21(19,20)18-5-3-11(4-6-18)9-17-2/h7-8,11,17H,3-6,9H2,1-2H3
InChIKeyOFUUFUWVGUXGAV-UHFFFAOYSA-N
MW334.84 g/mol
LogP2.41
Rot. Bonds4

About 1-[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine

1-[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine (PubChem CID 119978143) has the molecular formula C14H20ClFN2O2S and a molecular weight of 334.84 g/mol. Its IUPAC name is 1-[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine
PubChem CID119978143
Molecular FormulaC14H20ClFN2O2S
Molecular Weight334.84 g/mol
Exact Mass334.09
IUPAC Name1-[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(S(=O)(=O)c2cc(C)c(F)cc2Cl)CC1
InChIInChI=1S/C14H20ClFN2O2S/c1-10-7-14(12(15)8-13(10)16)21(19,20)18-5-3-11(4-6-18)9-17-2/h7-8,11,17H,3-6,9H2,1-2H3
InChIKeyOFUUFUWVGUXGAV-UHFFFAOYSA-N
XLogP2.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.84
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119977593
[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 119971913
1-[1-(5-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 120894056
1-[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119990950
1-[1-(5-bromo-4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 120709723
1-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 119978268
1-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119978245
1-[1-(2-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119978265
1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 63248386
N-(cyclopropylmethyl)-1-(2,4-difluoro-5-methylphenyl)sulfonylpiperidin-4-amine
CID 119987503
1-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine
CID 120779646
2-[[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpiperidin-3-yl]methylamino]acetic acid
CID 120726940

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine (CID 119978143) is 1-[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine is CNCC1CCN(S(=O)(=O)c2cc(C)c(F)cc2Cl)CC1.
What is the InChIKey of 1-[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine?
The InChIKey is OFUUFUWVGUXGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2O2S/c1-10-7-14(12(15)8-13(10)16)21(19,20)18-5-3-11(4-6-18)9-17-2/h7-8,11,17H,3-6,9H2,1-2H3.
What are the key properties of 1-[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine?
1-[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine has a molecular weight of 334.84 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine is sourced from PubChem (CID 119978143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).