1-chloropentane;N-[2-(trifluoromethyl)phenyl]methanesulfonamide

C13H19ClF3NO2S — CID 174529363

IUPAC1-chloropentane;N-[2-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCCCCCCl.CS(=O)(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C8H8F3NO2S.C5H11Cl/c1-15(13,14)12-7-5-3-2-4-6(7)8(9,10)11;1-2-3-4-5-6/h2-5,12H,1H3;2-5H2,1H3
InChIKeyMEQIEQSKZQFLQW-UHFFFAOYSA-N
MW345.81 g/mol
LogP4.49
Rot. Bonds5

About 1-chloropentane;N-[2-(trifluoromethyl)phenyl]methanesulfonamide

1-chloropentane;N-[2-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 174529363) has the molecular formula C13H19ClF3NO2S and a molecular weight of 345.81 g/mol. Its IUPAC name is 1-chloropentane;N-[2-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound Name1-chloropentane;N-[2-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID174529363
Molecular FormulaC13H19ClF3NO2S
Molecular Weight345.81 g/mol
Exact Mass345.08
IUPAC Name1-chloropentane;N-[2-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCCCCCCl.CS(=O)(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C8H8F3NO2S.C5H11Cl/c1-15(13,14)12-7-5-3-2-4-6(7)8(9,10)11;1-2-3-4-5-6/h2-5,12H,1H3;2-5H2,1H3
InChIKeyMEQIEQSKZQFLQW-UHFFFAOYSA-N
XLogP4.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.81
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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N-pentyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
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Frequently Asked Questions

What is the IUPAC name of 1-chloropentane;N-[2-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of 1-chloropentane;N-[2-(trifluoromethyl)phenyl]methanesulfonamide (CID 174529363) is 1-chloropentane;N-[2-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for 1-chloropentane;N-[2-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for 1-chloropentane;N-[2-(trifluoromethyl)phenyl]methanesulfonamide is CCCCCCl.CS(=O)(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 1-chloropentane;N-[2-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is MEQIEQSKZQFLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO2S.C5H11Cl/c1-15(13,14)12-7-5-3-2-4-6(7)8(9,10)11;1-2-3-4-5-6/h2-5,12H,1H3;2-5H2,1H3.
What are the key properties of 1-chloropentane;N-[2-(trifluoromethyl)phenyl]methanesulfonamide?
1-chloropentane;N-[2-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 345.81 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloropentane;N-[2-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 174529363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).