N-[(2-chloro-6-fluorophenyl)methyl]-1-(4-methylsulfonylphenyl)methanamine

C15H15ClFNO2S — CID 48563490

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-1-(4-methylsulfonylphenyl)methanamine
SMILESCS(=O)(=O)c1ccc(CNCc2c(F)cccc2Cl)cc1
InChIInChI=1S/C15H15ClFNO2S/c1-21(19,20)12-7-5-11(6-8-12)9-18-10-13-14(16)3-2-4-15(13)17/h2-8,18H,9-10H2,1H3
InChIKeyNFHOKUYWZATIPH-UHFFFAOYSA-N
MW327.81 g/mol
LogP3.17
Rot. Bonds5

About N-[(2-chloro-6-fluorophenyl)methyl]-1-(4-methylsulfonylphenyl)methanamine

N-[(2-chloro-6-fluorophenyl)methyl]-1-(4-methylsulfonylphenyl)methanamine (PubChem CID 48563490) has the molecular formula C15H15ClFNO2S and a molecular weight of 327.81 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-1-(4-methylsulfonylphenyl)methanamine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-1-(4-methylsulfonylphenyl)methanamine
PubChem CID48563490
Molecular FormulaC15H15ClFNO2S
Molecular Weight327.81 g/mol
Exact Mass327.05
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-1-(4-methylsulfonylphenyl)methanamine
SMILESCS(=O)(=O)c1ccc(CNCc2c(F)cccc2Cl)cc1
InChIInChI=1S/C15H15ClFNO2S/c1-21(19,20)12-7-5-11(6-8-12)9-18-10-13-14(16)3-2-4-15(13)17/h2-8,18H,9-10H2,1H3
InChIKeyNFHOKUYWZATIPH-UHFFFAOYSA-N
XLogP3.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-1-(4-methylsulfonylphenyl)methanamine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-1-(4-methylsulfonylphenyl)methanamine (CID 48563490) is N-[(2-chloro-6-fluorophenyl)methyl]-1-(4-methylsulfonylphenyl)methanamine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-1-(4-methylsulfonylphenyl)methanamine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-1-(4-methylsulfonylphenyl)methanamine is CS(=O)(=O)c1ccc(CNCc2c(F)cccc2Cl)cc1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-1-(4-methylsulfonylphenyl)methanamine?
The InChIKey is NFHOKUYWZATIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO2S/c1-21(19,20)12-7-5-11(6-8-12)9-18-10-13-14(16)3-2-4-15(13)17/h2-8,18H,9-10H2,1H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-1-(4-methylsulfonylphenyl)methanamine?
N-[(2-chloro-6-fluorophenyl)methyl]-1-(4-methylsulfonylphenyl)methanamine has a molecular weight of 327.81 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-1-(4-methylsulfonylphenyl)methanamine is sourced from PubChem (CID 48563490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).