N-fluoro-N-pentyl-4-(trifluoromethyl)benzenesulfonamide

C12H15F4NO2S — CID 162405458

IUPACN-fluoro-N-pentyl-4-(trifluoromethyl)benzenesulfonamide
SMILESCCCCCN(F)S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H15F4NO2S/c1-2-3-4-9-17(16)20(18,19)11-7-5-10(6-8-11)12(13,14)15/h5-8H,2-4,9H2,1H3
InChIKeyFSFNRBNWKYXQLL-UHFFFAOYSA-N
MW313.32 g/mol
LogP3.77
Rot. Bonds6

About N-fluoro-N-pentyl-4-(trifluoromethyl)benzenesulfonamide

N-fluoro-N-pentyl-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 162405458) has the molecular formula C12H15F4NO2S and a molecular weight of 313.32 g/mol. Its IUPAC name is N-fluoro-N-pentyl-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-fluoro-N-pentyl-4-(trifluoromethyl)benzenesulfonamide
PubChem CID162405458
Molecular FormulaC12H15F4NO2S
Molecular Weight313.32 g/mol
Exact Mass313.08
IUPAC NameN-fluoro-N-pentyl-4-(trifluoromethyl)benzenesulfonamide
SMILESCCCCCN(F)S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H15F4NO2S/c1-2-3-4-9-17(16)20(18,19)11-7-5-10(6-8-11)12(13,14)15/h5-8H,2-4,9H2,1H3
InChIKeyFSFNRBNWKYXQLL-UHFFFAOYSA-N
XLogP3.77
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-Ethyl-p-toluenesulfonamide
CID 6637
Benzenesulfonamide, N,N,4-trimethyl-
CID 11743
N-Butyl-p-toluenesulfonamide
CID 61285
p-Toluenesulfonamide, N,N-diethyl-
CID 69539
(2-Cyclohex-1-enylethyl)[(4-methylphenyl)sulfonyl]amine
CID 737669
4-(Trifluoromethyl)benzenesulfonamide
CID 70018
4-[2-(Nonafluorobutane-1-sulfonylamino)-ethyl]-benzenesulfonamide
CID 4070422
N-Propyl-p-toluenesulfonamide
CID 70808
4-methyl-N-(prop-2-en-1-yl)benzene-1-sulfonamide
CID 297877
50487-72-4
CID 351447
1-(4-Methylbenzenesulfonyl)aziridine
CID 561274
Ditolamide
CID 208847

Frequently Asked Questions

What is the IUPAC name of N-fluoro-N-pentyl-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-fluoro-N-pentyl-4-(trifluoromethyl)benzenesulfonamide (CID 162405458) is N-fluoro-N-pentyl-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-fluoro-N-pentyl-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-fluoro-N-pentyl-4-(trifluoromethyl)benzenesulfonamide is CCCCCN(F)S(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-fluoro-N-pentyl-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is FSFNRBNWKYXQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F4NO2S/c1-2-3-4-9-17(16)20(18,19)11-7-5-10(6-8-11)12(13,14)15/h5-8H,2-4,9H2,1H3.
What are the key properties of N-fluoro-N-pentyl-4-(trifluoromethyl)benzenesulfonamide?
N-fluoro-N-pentyl-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 313.32 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-N-pentyl-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 162405458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).