N-(4-chloropentyl)-4,4,4-trifluorobutane-1-sulfonamide

C9H17ClF3NO2S — CID 106135566

IUPACN-(4-chloropentyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESCC(Cl)CCCNS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C9H17ClF3NO2S/c1-8(10)4-2-6-14-17(15,16)7-3-5-9(11,12)13/h8,14H,2-7H2,1H3
InChIKeyHXWNYYFVOPYGKT-UHFFFAOYSA-N
MW295.75 g/mol
LogP2.66
Rot. Bonds8

About N-(4-chloropentyl)-4,4,4-trifluorobutane-1-sulfonamide

N-(4-chloropentyl)-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 106135566) has the molecular formula C9H17ClF3NO2S and a molecular weight of 295.75 g/mol. Its IUPAC name is N-(4-chloropentyl)-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-chloropentyl)-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID106135566
Molecular FormulaC9H17ClF3NO2S
Molecular Weight295.75 g/mol
Exact Mass295.06
IUPAC NameN-(4-chloropentyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESCC(Cl)CCCNS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C9H17ClF3NO2S/c1-8(10)4-2-6-14-17(15,16)7-3-5-9(11,12)13/h8,14H,2-7H2,1H3
InChIKeyHXWNYYFVOPYGKT-UHFFFAOYSA-N
XLogP2.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 52.66
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

N-(4-aminopentyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 106125756
N-(4-chloropentyl)-3,3-dimethylbutane-1-sulfonamide
CID 106135546
N-(3-aminobutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059418
3-chloro-N-(4,4,4-trifluorobutyl)propane-1-sulfonamide
CID 115521751
4,4,4-trifluoro-N-(2-methylpropyl)butane-1-sulfonamide
CID 82903855
4,4,4-trifluoro-N-[3-(2-methylpropoxy)propyl]butane-1-sulfonamide
CID 71905535
4,4,4-trifluoro-N-(2-hydroxy-2-methylpropyl)butane-1-sulfonamide
CID 83059566
2-(methylamino)-N-(3,3,3-trifluoropropyl)ethanesulfonamide
CID 63227903
4,4,4-trifluoro-N-(3-piperazin-1-ylpropyl)butane-1-sulfonamide
CID 83068022
N-(4-chloro-2,2-dimethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 106146106
N-(5-aminopentan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059740
4-(cyclopropylamino)-N-(4,4,4-trifluorobutyl)butane-1-sulfonamide
CID 115522833

Frequently Asked Questions

What is the IUPAC name of N-(4-chloropentyl)-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-(4-chloropentyl)-4,4,4-trifluorobutane-1-sulfonamide (CID 106135566) is N-(4-chloropentyl)-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-(4-chloropentyl)-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-(4-chloropentyl)-4,4,4-trifluorobutane-1-sulfonamide is CC(Cl)CCCNS(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N-(4-chloropentyl)-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is HXWNYYFVOPYGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClF3NO2S/c1-8(10)4-2-6-14-17(15,16)7-3-5-9(11,12)13/h8,14H,2-7H2,1H3.
What are the key properties of N-(4-chloropentyl)-4,4,4-trifluorobutane-1-sulfonamide?
N-(4-chloropentyl)-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 295.75 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloropentyl)-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 106135566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).