3-[(3,4-difluorophenyl)sulfonylamino]-N-[(1,3-diphenylpyrazol-4-yl)methyl]propanamide

C25H22F2N4O3S — CID 24548796

IUPAC3-[(3,4-difluorophenyl)sulfonylamino]-N-[(1,3-diphenylpyrazol-4-yl)methyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NCc1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C25H22F2N4O3S/c26-22-12-11-21(15-23(22)27)35(33,34)29-14-13-24(32)28-16-19-17-31(20-9-5-2-6-10-20)30-25(19)18-7-3-1-4-8-18/h1-12,15,17,29H,13-14,16H2,(H,28,32)
InChIKeyJDSZJCYLHDRGHB-UHFFFAOYSA-N
MW496.54 g/mol
LogP3.80
Rot. Bonds9

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

3-[(3,4-difluorophenyl)sulfonylamino]-N-[(1,3-diphenylpyrazol-4-yl)methyl]propanamide (PubChem CID 24548796) has the molecular formula C25H22F2N4O3S and a molecular weight of 496.54 g/mol. Its IUPAC name is 3-[(3,4-difluorophenyl)sulfonylamino]-N-[(1,3-diphenylpyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-[(3,4-difluorophenyl)sulfonylamino]-N-[(1,3-diphenylpyrazol-4-yl)methyl]propanamide
PubChem CID24548796
Molecular FormulaC25H22F2N4O3S
Molecular Weight496.54 g/mol
Exact Mass496.14
IUPAC Name3-[(3,4-difluorophenyl)sulfonylamino]-N-[(1,3-diphenylpyrazol-4-yl)methyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NCc1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C25H22F2N4O3S/c26-22-12-11-21(15-23(22)27)35(33,34)29-14-13-24(32)28-16-19-17-31(20-9-5-2-6-10-20)30-25(19)18-7-3-1-4-8-18/h1-12,15,17,29H,13-14,16H2,(H,28,32)
InChIKeyJDSZJCYLHDRGHB-UHFFFAOYSA-N
XLogP3.80
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.54
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3,4-difluorophenyl)sulfonylamino]-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide
CID 55638591
4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 19577912
5-(carbamoylamino)-N-[(1,3-diphenylpyrazol-4-yl)methyl]pentanamide
CID 31340751
N-[(1,3-diphenylpyrazol-4-yl)methyl]-5-(ethylsulfamoyl)-2-fluoro-N-methylbenzamide
CID 60542557
N-[(1,3-diphenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 22203873
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-[2-(2-fluorophenyl)ethyl]propanamide
CID 24547426
3-[(3,4-difluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 47101447
3-[(3,4-difluorophenyl)sulfonylamino]-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 55713959
4-bromo-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 17374702
N-benzyl-3-(1,3-diphenylpyrazol-4-yl)propanamide
CID 46295888
3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-phenoxyethyl)propanamide
CID 32934295

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-difluorophenyl)sulfonylamino]-N-[(1,3-diphenylpyrazol-4-yl)methyl]propanamide?
The IUPAC name of 3-[(3,4-difluorophenyl)sulfonylamino]-N-[(1,3-diphenylpyrazol-4-yl)methyl]propanamide (CID 24548796) is 3-[(3,4-difluorophenyl)sulfonylamino]-N-[(1,3-diphenylpyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for 3-[(3,4-difluorophenyl)sulfonylamino]-N-[(1,3-diphenylpyrazol-4-yl)methyl]propanamide?
The canonical SMILES for 3-[(3,4-difluorophenyl)sulfonylamino]-N-[(1,3-diphenylpyrazol-4-yl)methyl]propanamide is O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NCc1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 3-[(3,4-difluorophenyl)sulfonylamino]-N-[(1,3-diphenylpyrazol-4-yl)methyl]propanamide?
The InChIKey is JDSZJCYLHDRGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N4O3S/c26-22-12-11-21(15-23(22)27)35(33,34)29-14-13-24(32)28-16-19-17-31(20-9-5-2-6-10-20)30-25(19)18-7-3-1-4-8-18/h1-12,15,17,29H,13-14,16H2,(H,28,32).
What are the key properties of 3-[(3,4-difluorophenyl)sulfonylamino]-N-[(1,3-diphenylpyrazol-4-yl)methyl]propanamide?
3-[(3,4-difluorophenyl)sulfonylamino]-N-[(1,3-diphenylpyrazol-4-yl)methyl]propanamide has a molecular weight of 496.54 g/mol, XLogP of 3.80, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-difluorophenyl)sulfonylamino]-N-[(1,3-diphenylpyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 24548796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).