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

C10H11ClF3NO2S — CID 64697153

IUPAC3-(4-chlorophenyl)sulfonyl-4,4,4-trifluorobutan-1-amine
SMILESNCCC(C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H11ClF3NO2S/c11-7-1-3-8(4-2-7)18(16,17)9(5-6-15)10(12,13)14/h1-4,9H,5-6,15H2
InChIKeyRPXULNBNDDIPAZ-UHFFFAOYSA-N
MW301.72 g/mol
LogP2.39
Rot. Bonds4

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

3-(4-chlorophenyl)sulfonyl-4,4,4-trifluorobutan-1-amine (PubChem CID 64697153) has the molecular formula C10H11ClF3NO2S and a molecular weight of 301.72 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-4,4,4-trifluorobutan-1-amine
PubChem CID64697153
Molecular FormulaC10H11ClF3NO2S
Molecular Weight301.72 g/mol
Exact Mass301.02
IUPAC Name3-(4-chlorophenyl)sulfonyl-4,4,4-trifluorobutan-1-amine
SMILESNCCC(C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H11ClF3NO2S/c11-7-1-3-8(4-2-7)18(16,17)9(5-6-15)10(12,13)14/h1-4,9H,5-6,15H2
InChIKeyRPXULNBNDDIPAZ-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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Related Compounds

3-(4-tert-butylphenyl)sulfonyl-4,4,4-trifluorobutan-1-amine
CID 64697396
4,4,4-trifluoro-3-[2-(trifluoromethyl)phenyl]sulfonylbutan-1-amine
CID 106585534
1-chloro-4-(dichloromethylsulfonyl)benzene
CID 759446
3-ethylsulfonyl-4,4,4-trifluorobutan-1-amine
CID 64696760
2-amino-2-(4-chlorophenyl)sulfonylethanol
CID 117037336
4-amino-2-(3-chloro-4-fluorophenyl)sulfonylbutanoic acid
CID 64695885
(2R)-2-(4-chlorophenyl)sulfonyl-2-phenylethanamine
CID 9161767
3-fluoro-3-(4-fluorophenyl)sulfonylpropan-1-amine
CID 115040676
3-[(4-chlorophenyl)methylsulfinyl]-4,4,4-trifluorobutan-1-amine
CID 114792903
1-[bis(benzenesulfonyl)methylsulfonyl]-4-chlorobenzene
CID 18790965
(4-chlorophenyl)-imino-oxo-(trifluoromethyl)-lambda6-sulfane
CID 15587414
N-[2-amino-1-(4-phenylphenyl)ethyl]-4-chlorobenzenesulfonamide
CID 139608957

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-4,4,4-trifluorobutan-1-amine?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-4,4,4-trifluorobutan-1-amine (CID 64697153) is 3-(4-chlorophenyl)sulfonyl-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-4,4,4-trifluorobutan-1-amine is NCCC(C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-4,4,4-trifluorobutan-1-amine?
The InChIKey is RPXULNBNDDIPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3NO2S/c11-7-1-3-8(4-2-7)18(16,17)9(5-6-15)10(12,13)14/h1-4,9H,5-6,15H2.
What are the key properties of 3-(4-chlorophenyl)sulfonyl-4,4,4-trifluorobutan-1-amine?
3-(4-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-(4-chlorophenyl)sulfonyl-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 64697153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).