[3-[(2-chlorophenyl)methylsulfonylmethyl]-2-fluorophenyl]methanamine

C15H15ClFNO2S — CID 107120185

IUPAC[3-[(2-chlorophenyl)methylsulfonylmethyl]-2-fluorophenyl]methanamine
SMILESNCc1cccc(CS(=O)(=O)Cc2ccccc2Cl)c1F
InChIInChI=1S/C15H15ClFNO2S/c16-14-7-2-1-4-12(14)9-21(19,20)10-13-6-3-5-11(8-18)15(13)17/h1-7H,8-10,18H2
InChIKeyBVGNQSSZRXJJGV-UHFFFAOYSA-N
MW327.81 g/mol
LogP3.05
Rot. Bonds5

About [3-[(2-chlorophenyl)methylsulfonylmethyl]-2-fluorophenyl]methanamine

[3-[(2-chlorophenyl)methylsulfonylmethyl]-2-fluorophenyl]methanamine (PubChem CID 107120185) has the molecular formula C15H15ClFNO2S and a molecular weight of 327.81 g/mol. Its IUPAC name is [3-[(2-chlorophenyl)methylsulfonylmethyl]-2-fluorophenyl]methanamine.

Molecular Properties

Compound Name[3-[(2-chlorophenyl)methylsulfonylmethyl]-2-fluorophenyl]methanamine
PubChem CID107120185
Molecular FormulaC15H15ClFNO2S
Molecular Weight327.81 g/mol
Exact Mass327.05
IUPAC Name[3-[(2-chlorophenyl)methylsulfonylmethyl]-2-fluorophenyl]methanamine
SMILESNCc1cccc(CS(=O)(=O)Cc2ccccc2Cl)c1F
InChIInChI=1S/C15H15ClFNO2S/c16-14-7-2-1-4-12(14)9-21(19,20)10-13-6-3-5-11(8-18)15(13)17/h1-7H,8-10,18H2
InChIKeyBVGNQSSZRXJJGV-UHFFFAOYSA-N
XLogP3.05
TPSA60.16 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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-fluoro-3-[(2-methylphenyl)methylsulfonylmethyl]phenyl]methanamine
CID 107120125
[3-[(2-chlorophenyl)methylsulfonylmethyl]-2-pyridinyl]methanamine
CID 103291310
2-[(2-chlorophenyl)methylsulfonylmethyl]-4-fluoroaniline
CID 103288816
1-chloro-2-(2-chloroethylsulfonylmethyl)benzene
CID 103288106
N-(2-aminoethyl)-2-[(2-chlorophenyl)methylsulfonyl]acetamide
CID 103291290
3-bromo-5-[(2-chlorophenyl)methylsulfonylmethyl]aniline
CID 103351283
2-amino-3-[(2-chlorophenyl)methylsulfonyl]propanamide
CID 103288038
3-chloro-2-[(2-chlorophenyl)methylsulfonyl]aniline
CID 81186152
2-(aminomethyl)-6-chlorobenzaldehyde
CID 174425171
[2-(2-methylsulfonylethylsulfonylmethyl)phenyl]methanamine
CID 64698409
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 107113377
[3-[(3-chloro-2-pyridinyl)sulfanylmethyl]-2-fluorophenyl]methanamine
CID 107118927

Frequently Asked Questions

What is the IUPAC name of [3-[(2-chlorophenyl)methylsulfonylmethyl]-2-fluorophenyl]methanamine?
The IUPAC name of [3-[(2-chlorophenyl)methylsulfonylmethyl]-2-fluorophenyl]methanamine (CID 107120185) is [3-[(2-chlorophenyl)methylsulfonylmethyl]-2-fluorophenyl]methanamine.
What is the SMILES notation for [3-[(2-chlorophenyl)methylsulfonylmethyl]-2-fluorophenyl]methanamine?
The canonical SMILES for [3-[(2-chlorophenyl)methylsulfonylmethyl]-2-fluorophenyl]methanamine is NCc1cccc(CS(=O)(=O)Cc2ccccc2Cl)c1F.
What is the InChIKey of [3-[(2-chlorophenyl)methylsulfonylmethyl]-2-fluorophenyl]methanamine?
The InChIKey is BVGNQSSZRXJJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO2S/c16-14-7-2-1-4-12(14)9-21(19,20)10-13-6-3-5-11(8-18)15(13)17/h1-7H,8-10,18H2.
What are the key properties of [3-[(2-chlorophenyl)methylsulfonylmethyl]-2-fluorophenyl]methanamine?
[3-[(2-chlorophenyl)methylsulfonylmethyl]-2-fluorophenyl]methanamine has a molecular weight of 327.81 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-chlorophenyl)methylsulfonylmethyl]-2-fluorophenyl]methanamine is sourced from PubChem (CID 107120185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).