N-[(5-chloro-2-fluorophenyl)methyl]-1-methylsulfonylpropan-2-amine

C11H15ClFNO2S — CID 75431868

IUPACN-[(5-chloro-2-fluorophenyl)methyl]-1-methylsulfonylpropan-2-amine
SMILESCC(CS(C)(=O)=O)NCc1cc(Cl)ccc1F
InChIInChI=1S/C11H15ClFNO2S/c1-8(7-17(2,15)16)14-6-9-5-10(12)3-4-11(9)13/h3-5,8,14H,6-7H2,1-2H3
InChIKeyWYSVTGFHVILPNX-UHFFFAOYSA-N
MW279.76 g/mol
LogP2.00
Rot. Bonds5

About N-[(5-chloro-2-fluorophenyl)methyl]-1-methylsulfonylpropan-2-amine

N-[(5-chloro-2-fluorophenyl)methyl]-1-methylsulfonylpropan-2-amine (PubChem CID 75431868) has the molecular formula C11H15ClFNO2S and a molecular weight of 279.76 g/mol. Its IUPAC name is N-[(5-chloro-2-fluorophenyl)methyl]-1-methylsulfonylpropan-2-amine.

Molecular Properties

Compound NameN-[(5-chloro-2-fluorophenyl)methyl]-1-methylsulfonylpropan-2-amine
PubChem CID75431868
Molecular FormulaC11H15ClFNO2S
Molecular Weight279.76 g/mol
Exact Mass279.05
IUPAC NameN-[(5-chloro-2-fluorophenyl)methyl]-1-methylsulfonylpropan-2-amine
SMILESCC(CS(C)(=O)=O)NCc1cc(Cl)ccc1F
InChIInChI=1S/C11H15ClFNO2S/c1-8(7-17(2,15)16)14-6-9-5-10(12)3-4-11(9)13/h3-5,8,14H,6-7H2,1-2H3
InChIKeyWYSVTGFHVILPNX-UHFFFAOYSA-N
XLogP2.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.76
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-Chlorophenyl)methylazaniumyl]ethanesulfonate
CID 72200945
1-(3-chlorophenyl)-N-(3-methylsulfonylpropyl)cyclopentan-1-amine
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JAR-KUA-41bd5a3d-7
CID 156906229
2-[(3-Chlorobenzyl)amino]ethanesulfonic Acid
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1-(3-chlorophenyl)-N-[2-(4-chlorophenyl)sulfonylethyl]ethanamine
CID 16321759
2-[(4-Chlorobenzyl)amino]ethanesulfonic Acid
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3-[2-[1-(3-Chlorophenyl)ethyl-methylamino]ethylsulfonyl]propanamide
CID 47057115
N-[(2-chloro-4-fluorophenyl)methyl]-N-ethyl-1,1-dioxothiolan-3-amine
CID 53531683
(2-Chloro-5-fluorobenzyl)(1,1-dioxidotetrahydro-3-thienyl)ethylamine
CID 70786210
N-[1-(4-chlorophenyl)ethyl]-1-(2-methylsulfonylethyl)piperidin-4-amine
CID 75427998
3-{[(2-Fluorophenyl)methyl]amino}-1$l^{6}-thiolane-1,1-dione hydrochloride
CID 56832435
Ethyl(1-(4-fluorophenyl)-3-methanesulfonylpropan-2-yl)amine hydrochloride
CID 155821416

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-fluorophenyl)methyl]-1-methylsulfonylpropan-2-amine?
The IUPAC name of N-[(5-chloro-2-fluorophenyl)methyl]-1-methylsulfonylpropan-2-amine (CID 75431868) is N-[(5-chloro-2-fluorophenyl)methyl]-1-methylsulfonylpropan-2-amine.
What is the SMILES notation for N-[(5-chloro-2-fluorophenyl)methyl]-1-methylsulfonylpropan-2-amine?
The canonical SMILES for N-[(5-chloro-2-fluorophenyl)methyl]-1-methylsulfonylpropan-2-amine is CC(CS(C)(=O)=O)NCc1cc(Cl)ccc1F.
What is the InChIKey of N-[(5-chloro-2-fluorophenyl)methyl]-1-methylsulfonylpropan-2-amine?
The InChIKey is WYSVTGFHVILPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO2S/c1-8(7-17(2,15)16)14-6-9-5-10(12)3-4-11(9)13/h3-5,8,14H,6-7H2,1-2H3.
What are the key properties of N-[(5-chloro-2-fluorophenyl)methyl]-1-methylsulfonylpropan-2-amine?
N-[(5-chloro-2-fluorophenyl)methyl]-1-methylsulfonylpropan-2-amine has a molecular weight of 279.76 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-fluorophenyl)methyl]-1-methylsulfonylpropan-2-amine is sourced from PubChem (CID 75431868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).