4-[3-(difluoromethyl)-5-(3-fluoro-4-methylphenyl)pyrazol-1-yl]benzenesulfonamide;4-(4-methyl-5-phenylpyrazol-1-yl)benzenesulfonamide;N-methyl-4-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide;4-(3-methyl-5-piperidin-4-ylpyrazol-1-yl)benzenesulfonamide

C65H65F3N14O9S4 — CID 157458833

IUPAC4-[3-(difluoromethyl)-5-(3-fluoro-4-methylphenyl)pyrazol-1-yl]benzenesulfonamide;4-(4-methyl-5-phenylpyrazol-1-yl)benzenesulfonamide;N-methyl-4-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide;4-(3-methyl-5-piperidin-4-ylpyrazol-1-yl)benzenesulfonamide
SMILESCNC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)cc1-c1ccccc1.Cc1cc(C2CCNCC2)n(-c2ccc(S(N)(=O)=O)cc2)n1.Cc1ccc(-c2cc(C(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1F.Cc1cnn(-c2ccc(S(N)(=O)=O)cc2)c1-c1ccccc1
InChIInChI=1S/C17H14F3N3O2S.C17H16N4O3S.C16H15N3O2S.C15H20N4O2S/c1-10-2-3-11(8-14(10)18)16-9-15(17(19)20)22-23(16)12-4-6-13(7-5-12)26(21,24)25;1-19-17(22)16-15(12-5-3-2-4-6-12)11-21(20-16)13-7-9-14(10-8-13)25(18,23)24;1-12-11-18-19(16(12)13-5-3-2-4-6-13)14-7-9-15(10-8-14)22(17,20)21;1-11-10-15(12-6-8-17-9-7-12)19(18-11)13-2-4-14(5-3-13)22(16,20)21/h2-9,17H,1H3,(H2,21,24,25);2-11H,1H3,(H,19,22)(H2,18,23,24);2-11H,1H3,(H2,17,20,21);2-5,10,12,17H,6-9H2,1H3,(H2,16,20,21)
InChIKeyBTRJAXLZTBBPAT-UHFFFAOYSA-N
MW1371.59 g/mol
LogP8.91
Rot. Bonds14

About 4-[3-(difluoromethyl)-5-(3-fluoro-4-methylphenyl)pyrazol-1-yl]benzenesulfonamide;4-(4-methyl-5-phenylpyrazol-1-yl)benzenesulfonamide;N-methyl-4-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide;4-(3-methyl-5-piperidin-4-ylpyrazol-1-yl)benzenesulfonamide

4-[3-(difluoromethyl)-5-(3-fluoro-4-methylphenyl)pyrazol-1-yl]benzenesulfonamide;4-(4-methyl-5-phenylpyrazol-1-yl)benzenesulfonamide;N-methyl-4-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide;4-(3-methyl-5-piperidin-4-ylpyrazol-1-yl)benzenesulfonamide (PubChem CID 157458833) has the molecular formula C65H65F3N14O9S4 and a molecular weight of 1371.59 g/mol. Its IUPAC name is 4-[3-(difluoromethyl)-5-(3-fluoro-4-methylphenyl)pyrazol-1-yl]benzenesulfonamide;4-(4-methyl-5-phenylpyrazol-1-yl)benzenesulfonamide;N-methyl-4-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide;4-(3-methyl-5-piperidin-4-ylpyrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(difluoromethyl)-5-(3-fluoro-4-methylphenyl)pyrazol-1-yl]benzenesulfonamide;4-(4-methyl-5-phenylpyrazol-1-yl)benzenesulfonamide;N-methyl-4-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide;4-(3-methyl-5-piperidin-4-ylpyrazol-1-yl)benzenesulfonamide
PubChem CID157458833
Molecular FormulaC65H65F3N14O9S4
Molecular Weight1371.59 g/mol
Exact Mass1370.39
IUPAC Name4-[3-(difluoromethyl)-5-(3-fluoro-4-methylphenyl)pyrazol-1-yl]benzenesulfonamide;4-(4-methyl-5-phenylpyrazol-1-yl)benzenesulfonamide;N-methyl-4-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide;4-(3-methyl-5-piperidin-4-ylpyrazol-1-yl)benzenesulfonamide
SMILESCNC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)cc1-c1ccccc1.Cc1cc(C2CCNCC2)n(-c2ccc(S(N)(=O)=O)cc2)n1.Cc1ccc(-c2cc(C(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1F.Cc1cnn(-c2ccc(S(N)(=O)=O)cc2)c1-c1ccccc1
InChIInChI=1S/C17H14F3N3O2S.C17H16N4O3S.C16H15N3O2S.C15H20N4O2S/c1-10-2-3-11(8-14(10)18)16-9-15(17(19)20)22-23(16)12-4-6-13(7-5-12)26(21,24)25;1-19-17(22)16-15(12-5-3-2-4-6-12)11-21(20-16)13-7-9-14(10-8-13)25(18,23)24;1-12-11-18-19(16(12)13-5-3-2-4-6-13)14-7-9-15(10-8-14)22(17,20)21;1-11-10-15(12-6-8-17-9-7-12)19(18-11)13-2-4-14(5-3-13)22(16,20)21/h2-9,17H,1H3,(H2,21,24,25);2-11H,1H3,(H,19,22)(H2,18,23,24);2-11H,1H3,(H2,17,20,21);2-5,10,12,17H,6-9H2,1H3,(H2,16,20,21)
InChIKeyBTRJAXLZTBBPAT-UHFFFAOYSA-N
XLogP8.91
TPSA353.05 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds14
Heavy Atoms95
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001371.59
LogP ≤ 58.91
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze 4-[3-(difluoromethyl)-5-(3-fluoro-4-methylphenyl)pyrazol-1-yl]benzenesulfonamide;4-(4-methyl-5-phenylpyrazol-1-yl)benzenesulfonamide;N-methyl-4-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide;4-(3-methyl-5-piperidin-4-ylpyrazol-1-yl)benzenesulfonamide with MolForge

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Related Compounds

3-[4-[4-(difluoromethyl)phenyl]-5-fluoro-2-pyridinyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;(2S,4R)-4-fluoro-N-[[3-fluoro-5-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]phenyl]methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[3-fluoro-5-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[3-fluoro-5-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 157328967
4-oxo-4-[5-phenyl-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]-N-propylbutanamide;4-oxo-N-propyl-4-[2-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide;4-oxo-N-propyl-4-[3-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide;4-oxo-N-propyl-4-[4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide
CID 157575772
4-[5-[2-(methanesulfonamido)-5-pyridin-4-ylphenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-pyridin-4-yl-2-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;N-[4-pyridin-4-yl-2-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]acetamide;4-[5-[5-pyridin-4-yl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 159132189
5-[2-(difluoromethyl)-5-fluoro-4-propan-2-ylphenyl]-N-methylpyridine-2-carboxamide;4-(2,4-difluoro-3-propan-2-ylphenyl)-1-methylpyrazole;4-(3,4-difluoro-5-propan-2-ylphenyl)-1-methylpyrazole;N,N-dimethyl-3-(1-methylpyrazol-4-yl)-5-propan-2-ylbenzenesulfonamide;4-(2-fluoro-5-propan-2-ylphenyl)-1-methylpyrazole;4-(3-fluoro-4-propan-2-ylphenyl)-1-methylpyrazole;4-(3-fluoro-4-propan-2-ylphenyl)-1-methyltriazole;1-methyl-4-[3-propan-2-yl-5-(trifluoromethyl)phenyl]pyrazole
CID 159257911
ethane;N-methyl-4-oxo-4-[2-phenyl-3-(4-sulfamoylphenyl)-5-(trifluoromethyl)cyclopenta-1,4-dien-1-yl]butanamide;N-methyl-4-oxo-4-[2-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide;N-methyl-4-oxo-4-[3-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide;N-methyl-4-oxo-4-[4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide
CID 160597360
ethane;N-methyl-4-oxo-4-[5-phenyl-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]butanamide;N-methyl-4-oxo-4-[2-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide;N-methyl-4-oxo-4-[3-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide;N-methyl-4-oxo-4-[4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]butanamide
CID 161553224
2-[2-methylidene-5-[2-[10-[[4-[5-methyl-2-(4-sulfamoylphenyl)pyrazol-3-yl]benzoyl]amino]decylamino]-2-oxoethyl]azanidyl-5-oxopentyl]azanidyl-2-oxoethanethiolate;2-[2-[2-[2-[4-[[5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carbonyl]amino]butylamino]-2-oxoethyl]azanidyl-2-oxoethyl]azanidylprop-2-enylazanidyl]-2-oxoethanethiolate;2-[2-[2-[2-[10-[[5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carbonyl]amino]decylamino]-2-oxoethyl]azanidyl-2-oxoethyl]azanidylprop-2-enylazanidyl]-2-oxoethanethiolate;2-[2-[2-[2-[6-[[5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carbonyl]amino]hexylamino]-2-oxoethyl]azanidyl-2-oxoethyl]azanidylprop-2-enylazanidyl]-2-oxoethanethiolate;bis(2-[2-[2-[2-[4-[[4-[5-methyl-2-(4-sulfamoylphenyl)pyrazol-3-yl]benzoyl]amino]butylamino]-2-oxoethyl]azanidyl-2-oxoethyl]azanidylprop-2-enylazanidyl]-2-oxoethanethiolate);hexakis(oxo(99Tc)technetium-99(4+))
CID 157947218
N-[[3-(2-acetamidoethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;N-[[3-(dimethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;N-[[3-(ethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]indazole-4-carboxamide
CID 160747167
6-(4-Methylphenyl)-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[5,4-e]indazole-3-carboxamide;7-(4-methylphenyl)-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[5,4-e]indazole-3-carboxamide
CID 160906387
3-(4-benzylphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;3-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazole-4-carboxamide;1-[(3R)-1-prop-2-enoylpiperidin-3-yl]-3-(4-pyrazol-1-ylphenyl)pyrazole-4-carboxamide
CID 161681760
2-ethyl-N-[(1S)-3-[4-[(2S,3R)-3-(ethylsulfonylamino)-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]-2-fluorophenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-3-[[2-(1-methylpiperidin-4-yl)pyrazole-3-carbonyl]amino]-4-oxobutan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;N-[(2R,3S)-3-[4-[(3S)-3-[(2-ethylpyrazole-3-carbonyl)amino]-3-(4-methylcyclohexyl)-2-oxopropyl]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]-1,2-thiazole-4-carboxamide
CID 167652386

Frequently Asked Questions

What is the IUPAC name of 4-[3-(difluoromethyl)-5-(3-fluoro-4-methylphenyl)pyrazol-1-yl]benzenesulfonamide;4-(4-methyl-5-phenylpyrazol-1-yl)benzenesulfonamide;N-methyl-4-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide;4-(3-methyl-5-piperidin-4-ylpyrazol-1-yl)benzenesulfonamide?
The IUPAC name of 4-[3-(difluoromethyl)-5-(3-fluoro-4-methylphenyl)pyrazol-1-yl]benzenesulfonamide;4-(4-methyl-5-phenylpyrazol-1-yl)benzenesulfonamide;N-methyl-4-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide;4-(3-methyl-5-piperidin-4-ylpyrazol-1-yl)benzenesulfonamide (CID 157458833) is 4-[3-(difluoromethyl)-5-(3-fluoro-4-methylphenyl)pyrazol-1-yl]benzenesulfonamide;4-(4-methyl-5-phenylpyrazol-1-yl)benzenesulfonamide;N-methyl-4-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide;4-(3-methyl-5-piperidin-4-ylpyrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for 4-[3-(difluoromethyl)-5-(3-fluoro-4-methylphenyl)pyrazol-1-yl]benzenesulfonamide;4-(4-methyl-5-phenylpyrazol-1-yl)benzenesulfonamide;N-methyl-4-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide;4-(3-methyl-5-piperidin-4-ylpyrazol-1-yl)benzenesulfonamide?
The canonical SMILES for 4-[3-(difluoromethyl)-5-(3-fluoro-4-methylphenyl)pyrazol-1-yl]benzenesulfonamide;4-(4-methyl-5-phenylpyrazol-1-yl)benzenesulfonamide;N-methyl-4-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide;4-(3-methyl-5-piperidin-4-ylpyrazol-1-yl)benzenesulfonamide is CNC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)cc1-c1ccccc1.Cc1cc(C2CCNCC2)n(-c2ccc(S(N)(=O)=O)cc2)n1.Cc1ccc(-c2cc(C(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1F.Cc1cnn(-c2ccc(S(N)(=O)=O)cc2)c1-c1ccccc1.
What is the InChIKey of 4-[3-(difluoromethyl)-5-(3-fluoro-4-methylphenyl)pyrazol-1-yl]benzenesulfonamide;4-(4-methyl-5-phenylpyrazol-1-yl)benzenesulfonamide;N-methyl-4-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide;4-(3-methyl-5-piperidin-4-ylpyrazol-1-yl)benzenesulfonamide?
The InChIKey is BTRJAXLZTBBPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2S.C17H16N4O3S.C16H15N3O2S.C15H20N4O2S/c1-10-2-3-11(8-14(10)18)16-9-15(17(19)20)22-23(16)12-4-6-13(7-5-12)26(21,24)25;1-19-17(22)16-15(12-5-3-2-4-6-12)11-21(20-16)13-7-9-14(10-8-13)25(18,23)24;1-12-11-18-19(16(12)13-5-3-2-4-6-13)14-7-9-15(10-8-14)22(17,20)21;1-11-10-15(12-6-8-17-9-7-12)19(18-11)13-2-4-14(5-3-13)22(16,20)21/h2-9,17H,1H3,(H2,21,24,25);2-11H,1H3,(H,19,22)(H2,18,23,24);2-11H,1H3,(H2,17,20,21);2-5,10,12,17H,6-9H2,1H3,(H2,16,20,21).
What are the key properties of 4-[3-(difluoromethyl)-5-(3-fluoro-4-methylphenyl)pyrazol-1-yl]benzenesulfonamide;4-(4-methyl-5-phenylpyrazol-1-yl)benzenesulfonamide;N-methyl-4-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide;4-(3-methyl-5-piperidin-4-ylpyrazol-1-yl)benzenesulfonamide?
4-[3-(difluoromethyl)-5-(3-fluoro-4-methylphenyl)pyrazol-1-yl]benzenesulfonamide;4-(4-methyl-5-phenylpyrazol-1-yl)benzenesulfonamide;N-methyl-4-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide;4-(3-methyl-5-piperidin-4-ylpyrazol-1-yl)benzenesulfonamide has a molecular weight of 1371.59 g/mol, XLogP of 8.91, 14 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(difluoromethyl)-5-(3-fluoro-4-methylphenyl)pyrazol-1-yl]benzenesulfonamide;4-(4-methyl-5-phenylpyrazol-1-yl)benzenesulfonamide;N-methyl-4-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide;4-(3-methyl-5-piperidin-4-ylpyrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 157458833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).