N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]propane-1-sulfonamide

C15H16F3N3O2S — CID 113020236

IUPACN-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Nc2cccc(C(F)(F)F)c2)nc1
InChIInChI=1S/C15H16F3N3O2S/c1-2-8-24(22,23)21-13-6-7-14(19-10-13)20-12-5-3-4-11(9-12)15(16,17)18/h3-7,9-10,21H,2,8H2,1H3,(H,19,20)
InChIKeyODHXYGKZOGFBQE-UHFFFAOYSA-N
MW359.37 g/mol
LogP4.00
Rot. Bonds6

About N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]propane-1-sulfonamide

N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]propane-1-sulfonamide (PubChem CID 113020236) has the molecular formula C15H16F3N3O2S and a molecular weight of 359.37 g/mol. Its IUPAC name is N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]propane-1-sulfonamide
PubChem CID113020236
Molecular FormulaC15H16F3N3O2S
Molecular Weight359.37 g/mol
Exact Mass359.09
IUPAC NameN-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Nc2cccc(C(F)(F)F)c2)nc1
InChIInChI=1S/C15H16F3N3O2S/c1-2-8-24(22,23)21-13-6-7-14(19-10-13)20-12-5-3-4-11(9-12)15(16,17)18/h3-7,9-10,21H,2,8H2,1H3,(H,19,20)
InChIKeyODHXYGKZOGFBQE-UHFFFAOYSA-N
XLogP4.00
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]propane-1-sulfonamide
CID 113048992
N-[6-(3-chloroanilino)-3-pyridinyl]propane-1-sulfonamide
CID 113018556
N-[6-[4-(trifluoromethyl)anilino]-3-pyridinyl]butane-1-sulfonamide
CID 113020292
N-[6-(3,4-difluoroanilino)-3-pyridinyl]butane-1-sulfonamide
CID 113023261
2,2-dimethyl-N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]propanamide
CID 110178309
N-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]acetamide
CID 113034847
N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]butane-1-sulfonamide
CID 113018948
N-[5-(3,4-difluoroanilino)-2-pyridinyl]propane-1-sulfonamide
CID 113037630
N-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]propane-1-sulfonamide
CID 113018038
N-[6-(3-chloroanilino)-3-pyridinyl]-2-phenylethanesulfonamide
CID 113018574
N-[6-(3-fluoroanilino)-3-pyridinyl]methanesulfonamide
CID 113021324
N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]propane-1-sulfonamide
CID 113021072

Frequently Asked Questions

What is the IUPAC name of N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]propane-1-sulfonamide?
The IUPAC name of N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]propane-1-sulfonamide (CID 113020236) is N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]propane-1-sulfonamide.
What is the SMILES notation for N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]propane-1-sulfonamide?
The canonical SMILES for N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(Nc2cccc(C(F)(F)F)c2)nc1.
What is the InChIKey of N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]propane-1-sulfonamide?
The InChIKey is ODHXYGKZOGFBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O2S/c1-2-8-24(22,23)21-13-6-7-14(19-10-13)20-12-5-3-4-11(9-12)15(16,17)18/h3-7,9-10,21H,2,8H2,1H3,(H,19,20).
What are the key properties of N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]propane-1-sulfonamide?
N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]propane-1-sulfonamide has a molecular weight of 359.37 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]propane-1-sulfonamide is sourced from PubChem (CID 113020236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).