N-(6-aminohexyl)-2-(trifluoromethyl)benzenesulfonamide

C13H19F3N2O2S — CID 22719674

IUPACN-(6-aminohexyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESNCCCCCCNS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H19F3N2O2S/c14-13(15,16)11-7-3-4-8-12(11)21(19,20)18-10-6-2-1-5-9-17/h3-4,7-8,18H,1-2,5-6,9-10,17H2
InChIKeyYVOWHWDUDKFLJV-UHFFFAOYSA-N
MW324.37 g/mol
LogP2.50
Rot. Bonds8

About N-(6-aminohexyl)-2-(trifluoromethyl)benzenesulfonamide

N-(6-aminohexyl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 22719674) has the molecular formula C13H19F3N2O2S and a molecular weight of 324.37 g/mol. Its IUPAC name is N-(6-aminohexyl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(6-aminohexyl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID22719674
Molecular FormulaC13H19F3N2O2S
Molecular Weight324.37 g/mol
Exact Mass324.11
IUPAC NameN-(6-aminohexyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESNCCCCCCNS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H19F3N2O2S/c14-13(15,16)11-7-3-4-8-12(11)21(19,20)18-10-6-2-1-5-9-17/h3-4,7-8,18H,1-2,5-6,9-10,17H2
InChIKeyYVOWHWDUDKFLJV-UHFFFAOYSA-N
XLogP2.50
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-5-(benzenesulfonyl)-2-(trifluoromethyl)benzenesulfonamide
CID 57430751
N-ethyl-2-(trifluoromethyl)benzenesulfonamide
CID 43212836
N-(6-aminohexyl)naphthalene-1-sulfonamide;hydron;chloride
CID 50987005
N-(2-aminoethyl)-2-tert-butylbenzenesulfonamide
CID 86814125
3-[2-(trifluoromethyl)phenyl]sulfonylpropan-1-amine
CID 69095866
N-(3-aminopropyl)-2-(trifluoromethylsulfonyl)benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 167864746
N-(4-aminobutyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide
CID 120583345
N-(3-bromobutyl)-2-(trifluoromethyl)benzenesulfonamide
CID 113271815
N-(3-hydroxybutyl)-2-(trifluoromethyl)benzenesulfonamide
CID 64911010
2-methyl-4-[[2-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 80537599
2-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]ethoxy]acetic acid
CID 79469043
N-(6-aminohexyl)-2,5-difluorobenzenesulfonamide
CID 107844397

Frequently Asked Questions

What is the IUPAC name of N-(6-aminohexyl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(6-aminohexyl)-2-(trifluoromethyl)benzenesulfonamide (CID 22719674) is N-(6-aminohexyl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(6-aminohexyl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(6-aminohexyl)-2-(trifluoromethyl)benzenesulfonamide is NCCCCCCNS(=O)(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(6-aminohexyl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is YVOWHWDUDKFLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O2S/c14-13(15,16)11-7-3-4-8-12(11)21(19,20)18-10-6-2-1-5-9-17/h3-4,7-8,18H,1-2,5-6,9-10,17H2.
What are the key properties of N-(6-aminohexyl)-2-(trifluoromethyl)benzenesulfonamide?
N-(6-aminohexyl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 324.37 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-aminohexyl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 22719674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).