4-[3-(difluoromethyl)-5-(4-morpholin-4-ylphenyl)pyrazol-1-yl]benzenesulfonamide

C20H20F2N4O3S — CID 15293123

IUPAC4-[3-(difluoromethyl)-5-(4-morpholin-4-ylphenyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)F)cc2-c2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C20H20F2N4O3S/c21-20(22)18-13-19(14-1-3-15(4-2-14)25-9-11-29-12-10-25)26(24-18)16-5-7-17(8-6-16)30(23,27)28/h1-8,13,20H,9-12H2,(H2,23,27,28)
InChIKeyCMWXASXRBBYVLO-UHFFFAOYSA-N
MW434.47 g/mol
LogP2.96
Rot. Bonds5

About 4-[3-(difluoromethyl)-5-(4-morpholin-4-ylphenyl)pyrazol-1-yl]benzenesulfonamide

4-[3-(difluoromethyl)-5-(4-morpholin-4-ylphenyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 15293123) has the molecular formula C20H20F2N4O3S and a molecular weight of 434.47 g/mol. Its IUPAC name is 4-[3-(difluoromethyl)-5-(4-morpholin-4-ylphenyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(difluoromethyl)-5-(4-morpholin-4-ylphenyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID15293123
Molecular FormulaC20H20F2N4O3S
Molecular Weight434.47 g/mol
Exact Mass434.12
IUPAC Name4-[3-(difluoromethyl)-5-(4-morpholin-4-ylphenyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)F)cc2-c2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C20H20F2N4O3S/c21-20(22)18-13-19(14-1-3-15(4-2-14)25-9-11-29-12-10-25)26(24-18)16-5-7-17(8-6-16)30(23,27)28/h1-8,13,20H,9-12H2,(H2,23,27,28)
InChIKeyCMWXASXRBBYVLO-UHFFFAOYSA-N
XLogP2.96
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Celecoxib
CID 2662
Mavacoxib
CID 9843089
4-[[(4aS)-6-(benzenesulfonyl)-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-4a-yl]methyl]morpholine
CID 11591552
Desmethyl Celecoxib
CID 6426663
4-[5-(4-Dimethylamino-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-benzenesulfonamide
CID 9822818
4-(3-Difluoromethyl-5-phenyl-pyrazol-1-yl)-benzenesulfonamide
CID 9841276
4-(3-Difluoromethyl-5-p-tolyl-pyrazol-1-yl)-benzenesulfonamide
CID 9885354
4-[5-(4-Ethyl-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-benzenesulfonamide
CID 9908677
4-[5-(4-Amino-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-benzenesulfonamide
CID 10110427
4-[5-(4-Methylamino-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-benzenesulfonamide
CID 10135355
4-(5-(3-Methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide
CID 10199832
4-[5-(2-Fluoro-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-benzenesulfonamide
CID 10271396

Frequently Asked Questions

What is the IUPAC name of 4-[3-(difluoromethyl)-5-(4-morpholin-4-ylphenyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(difluoromethyl)-5-(4-morpholin-4-ylphenyl)pyrazol-1-yl]benzenesulfonamide (CID 15293123) is 4-[3-(difluoromethyl)-5-(4-morpholin-4-ylphenyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(difluoromethyl)-5-(4-morpholin-4-ylphenyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(difluoromethyl)-5-(4-morpholin-4-ylphenyl)pyrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2nc(C(F)F)cc2-c2ccc(N3CCOCC3)cc2)cc1.
What is the InChIKey of 4-[3-(difluoromethyl)-5-(4-morpholin-4-ylphenyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is CMWXASXRBBYVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O3S/c21-20(22)18-13-19(14-1-3-15(4-2-14)25-9-11-29-12-10-25)26(24-18)16-5-7-17(8-6-16)30(23,27)28/h1-8,13,20H,9-12H2,(H2,23,27,28).
What are the key properties of 4-[3-(difluoromethyl)-5-(4-morpholin-4-ylphenyl)pyrazol-1-yl]benzenesulfonamide?
4-[3-(difluoromethyl)-5-(4-morpholin-4-ylphenyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 434.47 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(difluoromethyl)-5-(4-morpholin-4-ylphenyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 15293123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).