4-[3-[(4,4-difluoropiperidin-1-yl)methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[3-[[2,2-difluoropropyl(2-hydroxyethyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[3-[[ethyl(2-hydroxyethyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;3-fluoro-4-[3-[[2-methoxyethyl(methyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide

C90H106F8N16O11S4 — CID 158052413

IUPAC4-[3-[(4,4-difluoropiperidin-1-yl)methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[3-[[2,2-difluoropropyl(2-hydroxyethyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[3-[[ethyl(2-hydroxyethyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;3-fluoro-4-[3-[[2-methoxyethyl(methyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide
SMILESCCN(CCO)Cc1cc(Cc2cccc(C)c2)n(-c2ccc(S(N)(=O)=O)cc2F)n1.COCCN(C)Cc1cc(Cc2cccc(C)c2)n(-c2ccc(S(N)(=O)=O)cc2F)n1.Cc1cccc(Cc2cc(CN(CCO)CC(C)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2F)c1.Cc1cccc(Cc2cc(CN3CCC(F)(F)CC3)nn2-c2ccc(S(N)(=O)=O)cc2F)c1
InChIInChI=1S/C23H27F3N4O3S.C23H25F3N4O2S.2C22H27FN4O3S/c1-16-4-3-5-17(10-16)11-19-12-18(14-29(8-9-31)15-23(2,25)26)28-30(19)22-7-6-20(13-21(22)24)34(27,32)33;1-16-3-2-4-17(11-16)12-19-13-18(15-29-9-7-23(25,26)8-10-29)28-30(19)22-6-5-20(14-21(22)24)33(27,31)32;1-16-5-4-6-17(11-16)12-19-13-18(15-26(2)9-10-30-3)25-27(19)22-8-7-20(14-21(22)23)31(24,28)29;1-3-26(9-10-28)15-18-13-19(12-17-6-4-5-16(2)11-17)27(25-18)22-8-7-20(14-21(22)23)31(24,29)30/h3-7,10,12-13,31H,8-9,11,14-15H2,1-2H3,(H2,27,32,33);2-6,11,13-14H,7-10,12,15H2,1H3,(H2,27,31,32);4-8,11,13-14H,9-10,12,15H2,1-3H3,(H2,24,28,29);4-8,11,13-14,28H,3,9-10,12,15H2,1-2H3,(H2,24,29,30)
InChIKeyFJQHPATWEWRHOU-UHFFFAOYSA-N
MW1868.19 g/mol
LogP11.81
Rot. Bonds34

About 4-[3-[(4,4-difluoropiperidin-1-yl)methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[3-[[2,2-difluoropropyl(2-hydroxyethyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[3-[[ethyl(2-hydroxyethyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;3-fluoro-4-[3-[[2-methoxyethyl(methyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide

4-[3-[(4,4-difluoropiperidin-1-yl)methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[3-[[2,2-difluoropropyl(2-hydroxyethyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[3-[[ethyl(2-hydroxyethyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;3-fluoro-4-[3-[[2-methoxyethyl(methyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide (PubChem CID 158052413) has the molecular formula C90H106F8N16O11S4 and a molecular weight of 1868.19 g/mol. Its IUPAC name is 4-[3-[(4,4-difluoropiperidin-1-yl)methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[3-[[2,2-difluoropropyl(2-hydroxyethyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[3-[[ethyl(2-hydroxyethyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;3-fluoro-4-[3-[[2-methoxyethyl(methyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-[(4,4-difluoropiperidin-1-yl)methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[3-[[2,2-difluoropropyl(2-hydroxyethyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[3-[[ethyl(2-hydroxyethyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;3-fluoro-4-[3-[[2-methoxyethyl(methyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide
PubChem CID158052413
Molecular FormulaC90H106F8N16O11S4
Molecular Weight1868.19 g/mol
Exact Mass1866.70
IUPAC Name4-[3-[(4,4-difluoropiperidin-1-yl)methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[3-[[2,2-difluoropropyl(2-hydroxyethyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[3-[[ethyl(2-hydroxyethyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;3-fluoro-4-[3-[[2-methoxyethyl(methyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide
SMILESCCN(CCO)Cc1cc(Cc2cccc(C)c2)n(-c2ccc(S(N)(=O)=O)cc2F)n1.COCCN(C)Cc1cc(Cc2cccc(C)c2)n(-c2ccc(S(N)(=O)=O)cc2F)n1.Cc1cccc(Cc2cc(CN(CCO)CC(C)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2F)c1.Cc1cccc(Cc2cc(CN3CCC(F)(F)CC3)nn2-c2ccc(S(N)(=O)=O)cc2F)c1
InChIInChI=1S/C23H27F3N4O3S.C23H25F3N4O2S.2C22H27FN4O3S/c1-16-4-3-5-17(10-16)11-19-12-18(14-29(8-9-31)15-23(2,25)26)28-30(19)22-7-6-20(13-21(22)24)34(27,32)33;1-16-3-2-4-17(11-16)12-19-13-18(15-29-9-7-23(25,26)8-10-29)28-30(19)22-6-5-20(14-21(22)24)33(27,31)32;1-16-5-4-6-17(11-16)12-19-13-18(15-26(2)9-10-30-3)25-27(19)22-8-7-20(14-21(22)23)31(24,28)29;1-3-26(9-10-28)15-18-13-19(12-17-6-4-5-16(2)11-17)27(25-18)22-8-7-20(14-21(22)23)31(24,29)30/h3-7,10,12-13,31H,8-9,11,14-15H2,1-2H3,(H2,27,32,33);2-6,11,13-14H,7-10,12,15H2,1H3,(H2,27,31,32);4-8,11,13-14H,9-10,12,15H2,1-3H3,(H2,24,28,29);4-8,11,13-14,28H,3,9-10,12,15H2,1-2H3,(H2,24,29,30)
InChIKeyFJQHPATWEWRHOU-UHFFFAOYSA-N
XLogP11.81
TPSA374.57 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds34
Heavy Atoms129
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001868.19
LogP ≤ 511.81
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1023

Analyze 4-[3-[(4,4-difluoropiperidin-1-yl)methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[3-[[2,2-difluoropropyl(2-hydroxyethyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[3-[[ethyl(2-hydroxyethyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;3-fluoro-4-[3-[[2-methoxyethyl(methyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide with MolForge

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Related Compounds

4-[5-[2-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[2-methyl-5-(1-methylpiperidin-4-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[2-methyl-5-(3H-pyrrol-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[2-methyl-5-(3H-pyrrol-4-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 157261286
4-[5-Benzyl-3-[[cyclohexyl(methyl)amino]methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;3-fluoro-4-[3-[[2-(methoxymethyl)morpholin-4-yl]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide;3-fluoro-4-[3-[(3-methylmorpholin-4-yl)methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide;3-fluoro-4-[5-[(3-methylphenyl)methyl]-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]pyrazol-1-yl]benzenesulfonamide
CID 160459421
4-[3-[[2-Cyanoethyl(methyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[3-[(3,3-difluoropiperidin-1-yl)methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;3-fluoro-4-[3-[[2-hydroxyethyl(propan-2-yl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide;3-fluoro-4-[3-[[methyl(2-phenoxyethyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide
CID 160596504
CID 161642479
CID 161642479
4-[3-[[Tert-butyl(2-cyanoethyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[3-[[2-cyanoethyl(cyclopropyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;3-fluoro-4-[3-[[2-methoxyethyl(propyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide;3-fluoro-4-[5-[(3-methylphenyl)methyl]-3-[[methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]amino]methyl]pyrazol-1-yl]benzenesulfonamide
CID 160542556
4-[5-benzyl-3-(3,6-dihydro-2H-pyridin-1-ylmethyl)pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[5-benzyl-3-[(2,6-dimethylmorpholin-4-yl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[5-benzyl-3-(hydroxymethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-benzyl-3-(hydroxymethyl)pyrazol-1-yl]-3-fluorobenzenesulfonamide
CID 160803988
4-[5-[(4-bromophenyl)methyl]-3-(3,6-dihydro-2H-pyridin-1-ylmethyl)pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[3-[(2-cyclopropylmorpholin-4-yl)methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[3-[(2-ethylmorpholin-4-yl)methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;3-fluoro-4-[3-[[methyl(oxan-3-yl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide
CID 161623873
4-[3-[[Benzyl(2-hydroxyethyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[5-[(4-bromophenyl)methyl]-3-[[butyl(methyl)amino]methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[3-[(3-cyanopiperidin-1-yl)methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;3-fluoro-4-[3-[[methyl(oxolan-3-yl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide
CID 161935900

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4,4-difluoropiperidin-1-yl)methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[3-[[2,2-difluoropropyl(2-hydroxyethyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[3-[[ethyl(2-hydroxyethyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;3-fluoro-4-[3-[[2-methoxyethyl(methyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[3-[(4,4-difluoropiperidin-1-yl)methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[3-[[2,2-difluoropropyl(2-hydroxyethyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[3-[[ethyl(2-hydroxyethyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;3-fluoro-4-[3-[[2-methoxyethyl(methyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide (CID 158052413) is 4-[3-[(4,4-difluoropiperidin-1-yl)methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[3-[[2,2-difluoropropyl(2-hydroxyethyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[3-[[ethyl(2-hydroxyethyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;3-fluoro-4-[3-[[2-methoxyethyl(methyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-[(4,4-difluoropiperidin-1-yl)methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[3-[[2,2-difluoropropyl(2-hydroxyethyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[3-[[ethyl(2-hydroxyethyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;3-fluoro-4-[3-[[2-methoxyethyl(methyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-[(4,4-difluoropiperidin-1-yl)methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[3-[[2,2-difluoropropyl(2-hydroxyethyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[3-[[ethyl(2-hydroxyethyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;3-fluoro-4-[3-[[2-methoxyethyl(methyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide is CCN(CCO)Cc1cc(Cc2cccc(C)c2)n(-c2ccc(S(N)(=O)=O)cc2F)n1.COCCN(C)Cc1cc(Cc2cccc(C)c2)n(-c2ccc(S(N)(=O)=O)cc2F)n1.Cc1cccc(Cc2cc(CN(CCO)CC(C)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2F)c1.Cc1cccc(Cc2cc(CN3CCC(F)(F)CC3)nn2-c2ccc(S(N)(=O)=O)cc2F)c1.
What is the InChIKey of 4-[3-[(4,4-difluoropiperidin-1-yl)methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[3-[[2,2-difluoropropyl(2-hydroxyethyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[3-[[ethyl(2-hydroxyethyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;3-fluoro-4-[3-[[2-methoxyethyl(methyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide?
The InChIKey is FJQHPATWEWRHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N4O3S.C23H25F3N4O2S.2C22H27FN4O3S/c1-16-4-3-5-17(10-16)11-19-12-18(14-29(8-9-31)15-23(2,25)26)28-30(19)22-7-6-20(13-21(22)24)34(27,32)33;1-16-3-2-4-17(11-16)12-19-13-18(15-29-9-7-23(25,26)8-10-29)28-30(19)22-6-5-20(14-21(22)24)33(27,31)32;1-16-5-4-6-17(11-16)12-19-13-18(15-26(2)9-10-30-3)25-27(19)22-8-7-20(14-21(22)23)31(24,28)29;1-3-26(9-10-28)15-18-13-19(12-17-6-4-5-16(2)11-17)27(25-18)22-8-7-20(14-21(22)23)31(24,29)30/h3-7,10,12-13,31H,8-9,11,14-15H2,1-2H3,(H2,27,32,33);2-6,11,13-14H,7-10,12,15H2,1H3,(H2,27,31,32);4-8,11,13-14H,9-10,12,15H2,1-3H3,(H2,24,28,29);4-8,11,13-14,28H,3,9-10,12,15H2,1-2H3,(H2,24,29,30).
What are the key properties of 4-[3-[(4,4-difluoropiperidin-1-yl)methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[3-[[2,2-difluoropropyl(2-hydroxyethyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[3-[[ethyl(2-hydroxyethyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;3-fluoro-4-[3-[[2-methoxyethyl(methyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide?
4-[3-[(4,4-difluoropiperidin-1-yl)methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[3-[[2,2-difluoropropyl(2-hydroxyethyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[3-[[ethyl(2-hydroxyethyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;3-fluoro-4-[3-[[2-methoxyethyl(methyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide has a molecular weight of 1868.19 g/mol, XLogP of 11.81, 34 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4,4-difluoropiperidin-1-yl)methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[3-[[2,2-difluoropropyl(2-hydroxyethyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;4-[3-[[ethyl(2-hydroxyethyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]-3-fluorobenzenesulfonamide;3-fluoro-4-[3-[[2-methoxyethyl(methyl)amino]methyl]-5-[(3-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 158052413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).