3-[(3,4-difluorophenyl)sulfonylamino]-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide

C17H16F2N6O3S — CID 55720237

IUPAC3-[(3,4-difluorophenyl)sulfonylamino]-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NCc1cccnc1-n1cncn1
InChIInChI=1S/C17H16F2N6O3S/c18-14-4-3-13(8-15(14)19)29(27,28)24-7-5-16(26)22-9-12-2-1-6-21-17(12)25-11-20-10-23-25/h1-4,6,8,10-11,24H,5,7,9H2,(H,22,26)
InChIKeyVMEJFYWMSKLWTD-UHFFFAOYSA-N
MW422.42 g/mol
LogP0.93
Rot. Bonds8

About 3-[(3,4-difluorophenyl)sulfonylamino]-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide

3-[(3,4-difluorophenyl)sulfonylamino]-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide (PubChem CID 55720237) has the molecular formula C17H16F2N6O3S and a molecular weight of 422.42 g/mol. Its IUPAC name is 3-[(3,4-difluorophenyl)sulfonylamino]-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name3-[(3,4-difluorophenyl)sulfonylamino]-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide
PubChem CID55720237
Molecular FormulaC17H16F2N6O3S
Molecular Weight422.42 g/mol
Exact Mass422.10
IUPAC Name3-[(3,4-difluorophenyl)sulfonylamino]-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NCc1cccnc1-n1cncn1
InChIInChI=1S/C17H16F2N6O3S/c18-14-4-3-13(8-15(14)19)29(27,28)24-7-5-16(26)22-9-12-2-1-6-21-17(12)25-11-20-10-23-25/h1-4,6,8,10-11,24H,5,7,9H2,(H,22,26)
InChIKeyVMEJFYWMSKLWTD-UHFFFAOYSA-N
XLogP0.93
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.42
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[(3,4-difluorophenyl)sulfonylamino]-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide with MolForge

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Related Compounds

3-(naphthalen-2-ylsulfonylamino)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide
CID 55720222
3-[(3,4-difluorophenyl)sulfonylamino]-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide
CID 55638591
3-[(3,4-difluorophenyl)sulfonylamino]-N-[(1,3-diphenylpyrazol-4-yl)methyl]propanamide
CID 24548796
2-methyl-5-methylsulfonyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide
CID 55721134
3-(2-ethoxyphenyl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide
CID 55720357
3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 24547426
3-[(3,4-difluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 47101447
3-[(3,4-difluorophenyl)sulfonylamino]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 25403138
3,4-difluoro-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide
CID 24539431
3-[(3,4-difluorophenyl)sulfonylamino]-N-[[4-[(dimethylamino)methyl]phenyl]methyl]propanamide
CID 55408072
3-[(3,4-difluorophenyl)sulfonylamino]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 86866305
3-[(3,4-difluorophenyl)sulfonylamino]-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 55713959

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-difluorophenyl)sulfonylamino]-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide?
The IUPAC name of 3-[(3,4-difluorophenyl)sulfonylamino]-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide (CID 55720237) is 3-[(3,4-difluorophenyl)sulfonylamino]-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide.
What is the SMILES notation for 3-[(3,4-difluorophenyl)sulfonylamino]-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide?
The canonical SMILES for 3-[(3,4-difluorophenyl)sulfonylamino]-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide is O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NCc1cccnc1-n1cncn1.
What is the InChIKey of 3-[(3,4-difluorophenyl)sulfonylamino]-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide?
The InChIKey is VMEJFYWMSKLWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N6O3S/c18-14-4-3-13(8-15(14)19)29(27,28)24-7-5-16(26)22-9-12-2-1-6-21-17(12)25-11-20-10-23-25/h1-4,6,8,10-11,24H,5,7,9H2,(H,22,26).
What are the key properties of 3-[(3,4-difluorophenyl)sulfonylamino]-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide?
3-[(3,4-difluorophenyl)sulfonylamino]-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide has a molecular weight of 422.42 g/mol, XLogP of 0.93, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-difluorophenyl)sulfonylamino]-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide is sourced from PubChem (CID 55720237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).