6-(propylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide

C11H16F3N3O2S2 — CID 106432842

IUPAC6-(propylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide
SMILESCCCNc1ccc(S(=O)(=O)NCCSC(F)(F)F)cn1
InChIInChI=1S/C11H16F3N3O2S2/c1-2-5-15-10-4-3-9(8-16-10)21(18,19)17-6-7-20-11(12,13)14/h3-4,8,17H,2,5-7H2,1H3,(H,15,16)
InChIKeyZHNXRFMGPGXMBZ-UHFFFAOYSA-N
MW343.40 g/mol
LogP2.43
Rot. Bonds8

About 6-(propylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide

6-(propylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide (PubChem CID 106432842) has the molecular formula C11H16F3N3O2S2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 6-(propylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(propylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide
PubChem CID106432842
Molecular FormulaC11H16F3N3O2S2
Molecular Weight343.40 g/mol
Exact Mass343.06
IUPAC Name6-(propylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide
SMILESCCCNc1ccc(S(=O)(=O)NCCSC(F)(F)F)cn1
InChIInChI=1S/C11H16F3N3O2S2/c1-2-5-15-10-4-3-9(8-16-10)21(18,19)17-6-7-20-11(12,13)14/h3-4,8,17H,2,5-7H2,1H3,(H,15,16)
InChIKeyZHNXRFMGPGXMBZ-UHFFFAOYSA-N
XLogP2.43
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide
CID 114187255
6-(ethylamino)-N-(4,4,4-trifluorobutyl)pyridine-3-sulfonamide
CID 115522012
N-(2-propan-2-yloxyethyl)-6-(propylamino)pyridine-3-sulfonamide
CID 104765369
N-benzyl-6-(propylamino)pyridine-3-sulfonamide
CID 62148374
N-[2-(2-methoxyethoxy)ethyl]-6-(propylamino)pyridine-3-sulfonamide
CID 62157283
N-(4-fluorophenyl)-6-(propylamino)pyridine-3-sulfonamide
CID 62145210
4-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106430253
N-(3-methylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide
CID 62143390
4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 75406437
5,6-dichloro-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide
CID 113239619
6-(propylamino)-N-(1H-pyrazol-4-yl)pyridine-3-sulfonamide
CID 62147845
N-(2-methylcyclopropyl)-6-(propylamino)pyridine-3-sulfonamide
CID 55071630

Frequently Asked Questions

What is the IUPAC name of 6-(propylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 6-(propylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide (CID 106432842) is 6-(propylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-(propylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-(propylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide is CCCNc1ccc(S(=O)(=O)NCCSC(F)(F)F)cn1.
What is the InChIKey of 6-(propylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide?
The InChIKey is ZHNXRFMGPGXMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2S2/c1-2-5-15-10-4-3-9(8-16-10)21(18,19)17-6-7-20-11(12,13)14/h3-4,8,17H,2,5-7H2,1H3,(H,15,16).
What are the key properties of 6-(propylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide?
6-(propylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide has a molecular weight of 343.40 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(propylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 106432842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).