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

C19H19F2N5O3S — CID 55638591

IUPAC3-[(3,4-difluorophenyl)sulfonylamino]-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NCc1ccccc1Cn1cncn1
InChIInChI=1S/C19H19F2N5O3S/c20-17-6-5-16(9-18(17)21)30(28,29)25-8-7-19(27)23-10-14-3-1-2-4-15(14)11-26-13-22-12-24-26/h1-6,9,12-13,25H,7-8,10-11H2,(H,23,27)
InChIKeySQAMKJWPNNTUTI-UHFFFAOYSA-N
MW435.46 g/mol
LogP1.59
Rot. Bonds9

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

3-[(3,4-difluorophenyl)sulfonylamino]-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide (PubChem CID 55638591) has the molecular formula C19H19F2N5O3S and a molecular weight of 435.46 g/mol. Its IUPAC name is 3-[(3,4-difluorophenyl)sulfonylamino]-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-[(3,4-difluorophenyl)sulfonylamino]-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide
PubChem CID55638591
Molecular FormulaC19H19F2N5O3S
Molecular Weight435.46 g/mol
Exact Mass435.12
IUPAC Name3-[(3,4-difluorophenyl)sulfonylamino]-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NCc1ccccc1Cn1cncn1
InChIInChI=1S/C19H19F2N5O3S/c20-17-6-5-16(9-18(17)21)30(28,29)25-8-7-19(27)23-10-14-3-1-2-4-15(14)11-26-13-22-12-24-26/h1-6,9,12-13,25H,7-8,10-11H2,(H,23,27)
InChIKeySQAMKJWPNNTUTI-UHFFFAOYSA-N
XLogP1.59
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3,4-difluorophenyl)sulfonylamino]-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide
CID 55720237
3-[(3,4-difluorophenyl)sulfonylamino]-N-[(1,3-diphenylpyrazol-4-yl)methyl]propanamide
CID 24548796
3-[(3,4-difluorophenyl)sulfonylamino]-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 55713959
3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 24547426
3-[(4-tert-butylphenyl)sulfonylamino]-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide
CID 55867467
3-[(3,4-difluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 47101447
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-(2-ethylanilino)-2-oxoethyl]propanamide
CID 24543919
3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide
CID 47101515
3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-phenylsulfanylethyl)propanamide
CID 24549470
3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-phenoxyethyl)propanamide
CID 32934295
3-[(3,4-difluorophenyl)sulfonylamino]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 25403138

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-difluorophenyl)sulfonylamino]-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide?
The IUPAC name of 3-[(3,4-difluorophenyl)sulfonylamino]-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide (CID 55638591) is 3-[(3,4-difluorophenyl)sulfonylamino]-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-[(3,4-difluorophenyl)sulfonylamino]-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-[(3,4-difluorophenyl)sulfonylamino]-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide is O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NCc1ccccc1Cn1cncn1.
What is the InChIKey of 3-[(3,4-difluorophenyl)sulfonylamino]-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide?
The InChIKey is SQAMKJWPNNTUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5O3S/c20-17-6-5-16(9-18(17)21)30(28,29)25-8-7-19(27)23-10-14-3-1-2-4-15(14)11-26-13-22-12-24-26/h1-6,9,12-13,25H,7-8,10-11H2,(H,23,27).
What are the key properties of 3-[(3,4-difluorophenyl)sulfonylamino]-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide?
3-[(3,4-difluorophenyl)sulfonylamino]-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide has a molecular weight of 435.46 g/mol, XLogP of 1.59, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-difluorophenyl)sulfonylamino]-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 55638591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).