N-(3-aminopropyl)-N-propan-2-yl-2-(trifluoromethyl)benzenesulfonamide

C13H19F3N2O2S — CID 43319450

IUPACN-(3-aminopropyl)-N-propan-2-yl-2-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)N(CCCN)S(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H19F3N2O2S/c1-10(2)18(9-5-8-17)21(19,20)12-7-4-3-6-11(12)13(14,15)16/h3-4,6-7,10H,5,8-9,17H2,1-2H3
InChIKeyDJNZWANXJHINMQ-UHFFFAOYSA-N
MW324.37 g/mol
LogP2.45
Rot. Bonds6

About N-(3-aminopropyl)-N-propan-2-yl-2-(trifluoromethyl)benzenesulfonamide

N-(3-aminopropyl)-N-propan-2-yl-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 43319450) has the molecular formula C13H19F3N2O2S and a molecular weight of 324.37 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-propan-2-yl-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-propan-2-yl-2-(trifluoromethyl)benzenesulfonamide
PubChem CID43319450
Molecular FormulaC13H19F3N2O2S
Molecular Weight324.37 g/mol
Exact Mass324.11
IUPAC NameN-(3-aminopropyl)-N-propan-2-yl-2-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)N(CCCN)S(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H19F3N2O2S/c1-10(2)18(9-5-8-17)21(19,20)12-7-4-3-6-11(12)13(14,15)16/h3-4,6-7,10H,5,8-9,17H2,1-2H3
InChIKeyDJNZWANXJHINMQ-UHFFFAOYSA-N
XLogP2.45
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloropropyl)-N-propan-2-yl-2-(trifluoromethyl)benzenesulfonamide
CID 63396675
N-(2-aminoethyl)-N-propyl-2-(trifluoromethyl)benzenesulfonamide
CID 61349925
3-[2-(trifluoromethyl)phenyl]sulfonylpropan-1-amine
CID 69095866
N-(3-aminopropyl)-N-propan-2-yl-2-(trifluoromethyl)benzamide
CID 43136696
N-(3-amino-4-methylpentyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide
CID 119992166
N-(1-chloropropan-2-yl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide
CID 104556465
N-(2-methoxyethyl)-N-pentan-3-yl-2-(trifluoromethyl)benzenesulfonamide
CID 60539885
N-(3-aminopropyl)-N-propan-2-ylpyridine-2-sulfonamide
CID 112519052
N-(1-amino-2-methylpropan-2-yl)-N-ethyl-2-(trifluoromethyl)benzenesulfonamide
CID 62008042
4,4,4-trifluoro-3-[2-(trifluoromethyl)phenyl]sulfonylbutan-1-amine
CID 106585534
N-(5-chloropentyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide
CID 107206454
2-fluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 54979868

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-propan-2-yl-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-propan-2-yl-2-(trifluoromethyl)benzenesulfonamide (CID 43319450) is N-(3-aminopropyl)-N-propan-2-yl-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-propan-2-yl-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-propan-2-yl-2-(trifluoromethyl)benzenesulfonamide is CC(C)N(CCCN)S(=O)(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(3-aminopropyl)-N-propan-2-yl-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is DJNZWANXJHINMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O2S/c1-10(2)18(9-5-8-17)21(19,20)12-7-4-3-6-11(12)13(14,15)16/h3-4,6-7,10H,5,8-9,17H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-N-propan-2-yl-2-(trifluoromethyl)benzenesulfonamide?
N-(3-aminopropyl)-N-propan-2-yl-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 324.37 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-propan-2-yl-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 43319450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).