(E)-2-[(3-chlorophenyl)sulfonylmethyl]-3-fluoroprop-2-en-1-amine

C10H11ClFNO2S — CID 170972350

IUPAC(E)-2-[(3-chlorophenyl)sulfonylmethyl]-3-fluoroprop-2-en-1-amine
SMILESNC/C(=C\F)CS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C10H11ClFNO2S/c11-9-2-1-3-10(4-9)16(14,15)7-8(5-12)6-13/h1-5H,6-7,13H2/b8-5+
InChIKeyNPEMMIORLOZTLZ-VMPITWQZSA-N
MW263.72 g/mol
LogP1.93
Rot. Bonds4

About (E)-2-[(3-chlorophenyl)sulfonylmethyl]-3-fluoroprop-2-en-1-amine

(E)-2-[(3-chlorophenyl)sulfonylmethyl]-3-fluoroprop-2-en-1-amine (PubChem CID 170972350) has the molecular formula C10H11ClFNO2S and a molecular weight of 263.72 g/mol. Its IUPAC name is (E)-2-[(3-chlorophenyl)sulfonylmethyl]-3-fluoroprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-2-[(3-chlorophenyl)sulfonylmethyl]-3-fluoroprop-2-en-1-amine
PubChem CID170972350
Molecular FormulaC10H11ClFNO2S
Molecular Weight263.72 g/mol
Exact Mass263.02
IUPAC Name(E)-2-[(3-chlorophenyl)sulfonylmethyl]-3-fluoroprop-2-en-1-amine
SMILESNC/C(=C\F)CS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C10H11ClFNO2S/c11-9-2-1-3-10(4-9)16(14,15)7-8(5-12)6-13/h1-5H,6-7,13H2/b8-5+
InChIKeyNPEMMIORLOZTLZ-VMPITWQZSA-N
XLogP1.93
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-2-[(3-chlorophenyl)sulfonylmethyl]-3-fluoroprop-2-en-1-amine?
The IUPAC name of (E)-2-[(3-chlorophenyl)sulfonylmethyl]-3-fluoroprop-2-en-1-amine (CID 170972350) is (E)-2-[(3-chlorophenyl)sulfonylmethyl]-3-fluoroprop-2-en-1-amine.
What is the SMILES notation for (E)-2-[(3-chlorophenyl)sulfonylmethyl]-3-fluoroprop-2-en-1-amine?
The canonical SMILES for (E)-2-[(3-chlorophenyl)sulfonylmethyl]-3-fluoroprop-2-en-1-amine is NC/C(=C\F)CS(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of (E)-2-[(3-chlorophenyl)sulfonylmethyl]-3-fluoroprop-2-en-1-amine?
The InChIKey is NPEMMIORLOZTLZ-VMPITWQZSA-N. The full InChI is InChI=1S/C10H11ClFNO2S/c11-9-2-1-3-10(4-9)16(14,15)7-8(5-12)6-13/h1-5H,6-7,13H2/b8-5+.
What are the key properties of (E)-2-[(3-chlorophenyl)sulfonylmethyl]-3-fluoroprop-2-en-1-amine?
(E)-2-[(3-chlorophenyl)sulfonylmethyl]-3-fluoroprop-2-en-1-amine has a molecular weight of 263.72 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[(3-chlorophenyl)sulfonylmethyl]-3-fluoroprop-2-en-1-amine is sourced from PubChem (CID 170972350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).