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

C88H82F12N16O8S4 — CID 157261286

IUPAC4-[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
SMILESCc1ccc(C2=CCN(C)CC2)cc1-c1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1.Cc1ccc(C2=CN=CC2)cc1-c1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1.Cc1ccc(C2=NC=CC2)cc1-c1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1.Cc1ccc(C2CCN(C)CC2)cc1-c1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C23H25F3N4O2S.C23H23F3N4O2S.2C21H17F3N4O2S/c2*1-15-3-4-17(16-9-11-29(2)12-10-16)13-20(15)21-14-22(23(24,25)26)28-30(21)18-5-7-19(8-6-18)33(27,31)32;1-13-2-3-14(15-8-9-26-12-15)10-18(13)19-11-20(21(22,23)24)27-28(19)16-4-6-17(7-5-16)31(25,29)30;1-13-4-5-14(18-3-2-10-26-18)11-17(13)19-12-20(21(22,23)24)27-28(19)15-6-8-16(9-7-15)31(25,29)30/h3-8,13-14,16H,9-12H2,1-2H3,(H2,27,31,32);3-9,13-14H,10-12H2,1-2H3,(H2,27,31,32);2-7,9-12H,8H2,1H3,(H2,25,29,30);2,4-12H,3H2,1H3,(H2,25,29,30)
InChIKeyAXMINYWTUMQDPW-UHFFFAOYSA-N
MW1847.97 g/mol
LogP17.11
Rot. Bonds16

About 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

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 (PubChem CID 157261286) has the molecular formula C88H82F12N16O8S4 and a molecular weight of 1847.97 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID157261286
Molecular FormulaC88H82F12N16O8S4
Molecular Weight1847.97 g/mol
Exact Mass1846.52
IUPAC Name4-[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
SMILESCc1ccc(C2=CCN(C)CC2)cc1-c1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1.Cc1ccc(C2=CN=CC2)cc1-c1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1.Cc1ccc(C2=NC=CC2)cc1-c1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1.Cc1ccc(C2CCN(C)CC2)cc1-c1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C23H25F3N4O2S.C23H23F3N4O2S.2C21H17F3N4O2S/c2*1-15-3-4-17(16-9-11-29(2)12-10-16)13-20(15)21-14-22(23(24,25)26)28-30(21)18-5-7-19(8-6-18)33(27,31)32;1-13-2-3-14(15-8-9-26-12-15)10-18(13)19-11-20(21(22,23)24)27-28(19)16-4-6-17(7-5-16)31(25,29)30;1-13-4-5-14(18-3-2-10-26-18)11-17(13)19-12-20(21(22,23)24)27-28(19)15-6-8-16(9-7-15)31(25,29)30/h3-8,13-14,16H,9-12H2,1-2H3,(H2,27,31,32);3-9,13-14H,10-12H2,1-2H3,(H2,27,31,32);2-7,9-12H,8H2,1H3,(H2,25,29,30);2,4-12H,3H2,1H3,(H2,25,29,30)
InChIKeyAXMINYWTUMQDPW-UHFFFAOYSA-N
XLogP17.11
TPSA343.12 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms128
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001847.97
LogP ≤ 517.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(C2=CCN(C)CC2)cc1-c1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1.Cc1ccc(C2=CN=CC2)cc1-c1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1.Cc1ccc(C2=NC=CC2)cc1-c1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1.Cc1ccc(C2CCN(C)CC2)cc1-c1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 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?
The InChIKey is AXMINYWTUMQDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N4O2S.C23H23F3N4O2S.2C21H17F3N4O2S/c2*1-15-3-4-17(16-9-11-29(2)12-10-16)13-20(15)21-14-22(23(24,25)26)28-30(21)18-5-7-19(8-6-18)33(27,31)32;1-13-2-3-14(15-8-9-26-12-15)10-18(13)19-11-20(21(22,23)24)27-28(19)16-4-6-17(7-5-16)31(25,29)30;1-13-4-5-14(18-3-2-10-26-18)11-17(13)19-12-20(21(22,23)24)27-28(19)15-6-8-16(9-7-15)31(25,29)30/h3-8,13-14,16H,9-12H2,1-2H3,(H2,27,31,32);3-9,13-14H,10-12H2,1-2H3,(H2,27,31,32);2-7,9-12H,8H2,1H3,(H2,25,29,30);2,4-12H,3H2,1H3,(H2,25,29,30).
What are the key properties of 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?
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 has a molecular weight of 1847.97 g/mol, XLogP of 17.11, 16 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157261286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).