N-[1-(3-chloro-4-fluorophenyl)ethyl]-6-methylsulfonylpyridin-3-amine

C14H14ClFN2O2S — CID 43675151

IUPACN-[1-(3-chloro-4-fluorophenyl)ethyl]-6-methylsulfonylpyridin-3-amine
SMILESCC(Nc1ccc(S(C)(=O)=O)nc1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H14ClFN2O2S/c1-9(10-3-5-13(16)12(15)7-10)18-11-4-6-14(17-8-11)21(2,19)20/h3-9,18H,1-2H3
InChIKeyDXSDBKYHYRHORA-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.45
Rot. Bonds4

About N-[1-(3-chloro-4-fluorophenyl)ethyl]-6-methylsulfonylpyridin-3-amine

N-[1-(3-chloro-4-fluorophenyl)ethyl]-6-methylsulfonylpyridin-3-amine (PubChem CID 43675151) has the molecular formula C14H14ClFN2O2S and a molecular weight of 328.80 g/mol. Its IUPAC name is N-[1-(3-chloro-4-fluorophenyl)ethyl]-6-methylsulfonylpyridin-3-amine.

Molecular Properties

Compound NameN-[1-(3-chloro-4-fluorophenyl)ethyl]-6-methylsulfonylpyridin-3-amine
PubChem CID43675151
Molecular FormulaC14H14ClFN2O2S
Molecular Weight328.80 g/mol
Exact Mass328.04
IUPAC NameN-[1-(3-chloro-4-fluorophenyl)ethyl]-6-methylsulfonylpyridin-3-amine
SMILESCC(Nc1ccc(S(C)(=O)=O)nc1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H14ClFN2O2S/c1-9(10-3-5-13(16)12(15)7-10)18-11-4-6-14(17-8-11)21(2,19)20/h3-9,18H,1-2H3
InChIKeyDXSDBKYHYRHORA-UHFFFAOYSA-N
XLogP3.45
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(3-chloro-4-fluorophenyl)ethylamino]benzoic acid
CID 43321605
N-[1-(3-chloro-4-fluorophenyl)ethyl]-4-ethylaniline
CID 43102207
N-[1-(4-chloro-3-fluorophenyl)ethyl]-6-methylpyridin-3-amine
CID 83069397
N-[1-(3-chloro-4-fluorophenyl)ethyl]quinolin-6-amine
CID 62636651
N-[1-(3-chloro-4-fluorophenyl)ethyl]-3,4-dimethoxyaniline
CID 43108298
5-[1-(3-chloro-4-fluorophenyl)ethylamino]-2-methylphenol
CID 107700001
3-chloro-N-[1-(3-chloro-4-fluorophenyl)ethyl]-4-methoxyaniline
CID 43100313
5-[1-(3-chloro-4-fluorophenyl)ethylamino]-1-ethylpyridin-2-one
CID 60942913
5-[1-(3-chloro-4-fluoroanilino)ethyl]benzene-1,3-diol
CID 107705381
6-methylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyridin-3-amine
CID 43675225
N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-methylsulfonylpropan-2-amine
CID 64629577
3,4-dichloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]aniline
CID 83069760

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-4-fluorophenyl)ethyl]-6-methylsulfonylpyridin-3-amine?
The IUPAC name of N-[1-(3-chloro-4-fluorophenyl)ethyl]-6-methylsulfonylpyridin-3-amine (CID 43675151) is N-[1-(3-chloro-4-fluorophenyl)ethyl]-6-methylsulfonylpyridin-3-amine.
What is the SMILES notation for N-[1-(3-chloro-4-fluorophenyl)ethyl]-6-methylsulfonylpyridin-3-amine?
The canonical SMILES for N-[1-(3-chloro-4-fluorophenyl)ethyl]-6-methylsulfonylpyridin-3-amine is CC(Nc1ccc(S(C)(=O)=O)nc1)c1ccc(F)c(Cl)c1.
What is the InChIKey of N-[1-(3-chloro-4-fluorophenyl)ethyl]-6-methylsulfonylpyridin-3-amine?
The InChIKey is DXSDBKYHYRHORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O2S/c1-9(10-3-5-13(16)12(15)7-10)18-11-4-6-14(17-8-11)21(2,19)20/h3-9,18H,1-2H3.
What are the key properties of N-[1-(3-chloro-4-fluorophenyl)ethyl]-6-methylsulfonylpyridin-3-amine?
N-[1-(3-chloro-4-fluorophenyl)ethyl]-6-methylsulfonylpyridin-3-amine has a molecular weight of 328.80 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-4-fluorophenyl)ethyl]-6-methylsulfonylpyridin-3-amine is sourced from PubChem (CID 43675151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).