2-(3-chloro-4-fluorophenyl)sulfonyl-1-(4-methylphenyl)ethanamine

C15H15ClFNO2S — CID 64675130

IUPAC2-(3-chloro-4-fluorophenyl)sulfonyl-1-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(N)CS(=O)(=O)c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C15H15ClFNO2S/c1-10-2-4-11(5-3-10)15(18)9-21(19,20)12-6-7-14(17)13(16)8-12/h2-8,15H,9,18H2,1H3
InChIKeyHRGSGTFBCQLJIK-UHFFFAOYSA-N
MW327.81 g/mol
LogP3.26
Rot. Bonds4

About 2-(3-chloro-4-fluorophenyl)sulfonyl-1-(4-methylphenyl)ethanamine

2-(3-chloro-4-fluorophenyl)sulfonyl-1-(4-methylphenyl)ethanamine (PubChem CID 64675130) has the molecular formula C15H15ClFNO2S and a molecular weight of 327.81 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)sulfonyl-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)sulfonyl-1-(4-methylphenyl)ethanamine
PubChem CID64675130
Molecular FormulaC15H15ClFNO2S
Molecular Weight327.81 g/mol
Exact Mass327.05
IUPAC Name2-(3-chloro-4-fluorophenyl)sulfonyl-1-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(N)CS(=O)(=O)c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C15H15ClFNO2S/c1-10-2-4-11(5-3-10)15(18)9-21(19,20)12-6-7-14(17)13(16)8-12/h2-8,15H,9,18H2,1H3
InChIKeyHRGSGTFBCQLJIK-UHFFFAOYSA-N
XLogP3.26
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-fluorophenyl)sulfonylbutan-2-amine
CID 64673553
2-amino-3-(3-chloro-4-fluorophenyl)sulfonylpropanoic acid
CID 65443416
2-(3-chloro-4-fluorophenyl)-1-(4-methylphenyl)ethanamine
CID 103039768
2-(3-methoxyphenyl)sulfonyl-1-(4-methylphenyl)ethanamine
CID 64646152
2-chloro-1-fluoro-4-[isocyano-(4-methylphenyl)sulfonylmethyl]benzene
CID 23076687
methyl 3-amino-4-(3-chloro-4-fluorophenyl)sulfonyl-2-phenylbutanoate;hydrochloride
CID 171618095
[(2S)-2-(3-chloro-4-fluorophenyl)-2-hydroxyethyl] 4-methylbenzenesulfonate
CID 118276750
2-ethylsulfonyl-1-(4-methylphenyl)ethanamine
CID 64646967
2-(3-chlorophenyl)sulfonyl-1-phenylethanamine
CID 64675228
2-(benzenesulfonyl)-1-(3,4-difluorophenyl)ethanamine
CID 82359948
2-(3-chlorophenyl)sulfonyl-1-(4-methoxyphenyl)ethanamine
CID 64674038
3-chloro-4-fluoro-N-(4-methylphenyl)-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 93207529

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)sulfonyl-1-(4-methylphenyl)ethanamine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)sulfonyl-1-(4-methylphenyl)ethanamine (CID 64675130) is 2-(3-chloro-4-fluorophenyl)sulfonyl-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)sulfonyl-1-(4-methylphenyl)ethanamine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)sulfonyl-1-(4-methylphenyl)ethanamine is Cc1ccc(C(N)CS(=O)(=O)c2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)sulfonyl-1-(4-methylphenyl)ethanamine?
The InChIKey is HRGSGTFBCQLJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO2S/c1-10-2-4-11(5-3-10)15(18)9-21(19,20)12-6-7-14(17)13(16)8-12/h2-8,15H,9,18H2,1H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)sulfonyl-1-(4-methylphenyl)ethanamine?
2-(3-chloro-4-fluorophenyl)sulfonyl-1-(4-methylphenyl)ethanamine has a molecular weight of 327.81 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)sulfonyl-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 64675130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).