[2-[(4-chlorophenyl)sulfonylmethyl]-5-fluorophenyl]methanamine

C14H13ClFNO2S — CID 64697361

IUPAC[2-[(4-chlorophenyl)sulfonylmethyl]-5-fluorophenyl]methanamine
SMILESNCc1cc(F)ccc1CS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H13ClFNO2S/c15-12-2-5-14(6-3-12)20(18,19)9-10-1-4-13(16)7-11(10)8-17/h1-7H,8-9,17H2
InChIKeyWMJLNBBGFABPLM-UHFFFAOYSA-N
MW313.78 g/mol
LogP2.91
Rot. Bonds4

About [2-[(4-chlorophenyl)sulfonylmethyl]-5-fluorophenyl]methanamine

[2-[(4-chlorophenyl)sulfonylmethyl]-5-fluorophenyl]methanamine (PubChem CID 64697361) has the molecular formula C14H13ClFNO2S and a molecular weight of 313.78 g/mol. Its IUPAC name is [2-[(4-chlorophenyl)sulfonylmethyl]-5-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-[(4-chlorophenyl)sulfonylmethyl]-5-fluorophenyl]methanamine
PubChem CID64697361
Molecular FormulaC14H13ClFNO2S
Molecular Weight313.78 g/mol
Exact Mass313.03
IUPAC Name[2-[(4-chlorophenyl)sulfonylmethyl]-5-fluorophenyl]methanamine
SMILESNCc1cc(F)ccc1CS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H13ClFNO2S/c15-12-2-5-14(6-3-12)20(18,19)9-10-1-4-13(16)7-11(10)8-17/h1-7H,8-9,17H2
InChIKeyWMJLNBBGFABPLM-UHFFFAOYSA-N
XLogP2.91
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-chlorophenyl)sulfonylmethyl]-5-fluorophenyl]methanamine?
The IUPAC name of [2-[(4-chlorophenyl)sulfonylmethyl]-5-fluorophenyl]methanamine (CID 64697361) is [2-[(4-chlorophenyl)sulfonylmethyl]-5-fluorophenyl]methanamine.
What is the SMILES notation for [2-[(4-chlorophenyl)sulfonylmethyl]-5-fluorophenyl]methanamine?
The canonical SMILES for [2-[(4-chlorophenyl)sulfonylmethyl]-5-fluorophenyl]methanamine is NCc1cc(F)ccc1CS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of [2-[(4-chlorophenyl)sulfonylmethyl]-5-fluorophenyl]methanamine?
The InChIKey is WMJLNBBGFABPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO2S/c15-12-2-5-14(6-3-12)20(18,19)9-10-1-4-13(16)7-11(10)8-17/h1-7H,8-9,17H2.
What are the key properties of [2-[(4-chlorophenyl)sulfonylmethyl]-5-fluorophenyl]methanamine?
[2-[(4-chlorophenyl)sulfonylmethyl]-5-fluorophenyl]methanamine has a molecular weight of 313.78 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chlorophenyl)sulfonylmethyl]-5-fluorophenyl]methanamine is sourced from PubChem (CID 64697361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).