3-(2-chlorophenyl)sulfonyl-4,4,4-trifluorobutan-1-amine

C10H11ClF3NO2S — CID 64698783

IUPAC3-(2-chlorophenyl)sulfonyl-4,4,4-trifluorobutan-1-amine
SMILESNCCC(C(F)(F)F)S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C10H11ClF3NO2S/c11-7-3-1-2-4-8(7)18(16,17)9(5-6-15)10(12,13)14/h1-4,9H,5-6,15H2
InChIKeyLKKMBVWZHXXYOJ-UHFFFAOYSA-N
MW301.72 g/mol
LogP2.39
Rot. Bonds4

About 3-(2-chlorophenyl)sulfonyl-4,4,4-trifluorobutan-1-amine

3-(2-chlorophenyl)sulfonyl-4,4,4-trifluorobutan-1-amine (PubChem CID 64698783) has the molecular formula C10H11ClF3NO2S and a molecular weight of 301.72 g/mol. Its IUPAC name is 3-(2-chlorophenyl)sulfonyl-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound Name3-(2-chlorophenyl)sulfonyl-4,4,4-trifluorobutan-1-amine
PubChem CID64698783
Molecular FormulaC10H11ClF3NO2S
Molecular Weight301.72 g/mol
Exact Mass301.02
IUPAC Name3-(2-chlorophenyl)sulfonyl-4,4,4-trifluorobutan-1-amine
SMILESNCCC(C(F)(F)F)S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C10H11ClF3NO2S/c11-7-3-1-2-4-8(7)18(16,17)9(5-6-15)10(12,13)14/h1-4,9H,5-6,15H2
InChIKeyLKKMBVWZHXXYOJ-UHFFFAOYSA-N
XLogP2.39
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.72
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)sulfonyl-4,4,4-trifluorobutan-1-amine?
The IUPAC name of 3-(2-chlorophenyl)sulfonyl-4,4,4-trifluorobutan-1-amine (CID 64698783) is 3-(2-chlorophenyl)sulfonyl-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for 3-(2-chlorophenyl)sulfonyl-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for 3-(2-chlorophenyl)sulfonyl-4,4,4-trifluorobutan-1-amine is NCCC(C(F)(F)F)S(=O)(=O)c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)sulfonyl-4,4,4-trifluorobutan-1-amine?
The InChIKey is LKKMBVWZHXXYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3NO2S/c11-7-3-1-2-4-8(7)18(16,17)9(5-6-15)10(12,13)14/h1-4,9H,5-6,15H2.
What are the key properties of 3-(2-chlorophenyl)sulfonyl-4,4,4-trifluorobutan-1-amine?
3-(2-chlorophenyl)sulfonyl-4,4,4-trifluorobutan-1-amine has a molecular weight of 301.72 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)sulfonyl-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 64698783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).