4-tert-butyl-N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-(3-ethyl-1-quinolin-5-ylpyrazol-5-yl)benzenesulfonamide;N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-yloxybenzenesulfonamide;N-[1-isoquinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]-4-propan-2-yloxybenzenesulfonamide

C91H87F7N16O10S4 — CID 159324282

IUPAC4-tert-butyl-N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-(3-ethyl-1-quinolin-5-ylpyrazol-5-yl)benzenesulfonamide;N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-yloxybenzenesulfonamide;N-[1-isoquinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2cc(C(F)F)nn2-c2cccc3ncccc23)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)nn2-c2cccc3cnccc23)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2cc(C(F)F)nn2-c2cccc3ncccc23)cc1.CCc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2cccc3ncccc23)n1
InChIInChI=1S/C24H26N4O2S.C23H22F2N4O2S.C22H19F3N4O3S.C22H20F2N4O3S/c1-5-18-16-23(27-31(29,30)19-13-11-17(12-14-19)24(2,3)4)28(26-18)22-10-6-9-21-20(22)8-7-15-25-21;1-23(2,3)15-9-11-16(12-10-15)32(30,31)28-21-14-19(22(24)25)27-29(21)20-8-4-7-18-17(20)6-5-13-26-18;1-14(2)32-16-6-8-17(9-7-16)33(30,31)28-21-12-20(22(23,24)25)27-29(21)19-5-3-4-15-13-26-11-10-18(15)19;1-14(2)31-15-8-10-16(11-9-15)32(29,30)27-21-13-19(22(23)24)26-28(21)20-7-3-6-18-17(20)5-4-12-25-18/h6-16,27H,5H2,1-4H3;4-14,22,28H,1-3H3;3-14,28H,1-2H3;3-14,22,27H,1-2H3
InChIKeyLEDUTPMRLFBNAX-UHFFFAOYSA-N
MW1826.05 g/mol
LogP20.51
Rot. Bonds23

About 4-tert-butyl-N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-(3-ethyl-1-quinolin-5-ylpyrazol-5-yl)benzenesulfonamide;N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-yloxybenzenesulfonamide;N-[1-isoquinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]-4-propan-2-yloxybenzenesulfonamide

4-tert-butyl-N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-(3-ethyl-1-quinolin-5-ylpyrazol-5-yl)benzenesulfonamide;N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-yloxybenzenesulfonamide;N-[1-isoquinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]-4-propan-2-yloxybenzenesulfonamide (PubChem CID 159324282) has the molecular formula C91H87F7N16O10S4 and a molecular weight of 1826.05 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-(3-ethyl-1-quinolin-5-ylpyrazol-5-yl)benzenesulfonamide;N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-yloxybenzenesulfonamide;N-[1-isoquinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-(3-ethyl-1-quinolin-5-ylpyrazol-5-yl)benzenesulfonamide;N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-yloxybenzenesulfonamide;N-[1-isoquinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]-4-propan-2-yloxybenzenesulfonamide
PubChem CID159324282
Molecular FormulaC91H87F7N16O10S4
Molecular Weight1826.05 g/mol
Exact Mass1824.56
IUPAC Name4-tert-butyl-N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-(3-ethyl-1-quinolin-5-ylpyrazol-5-yl)benzenesulfonamide;N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-yloxybenzenesulfonamide;N-[1-isoquinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2cc(C(F)F)nn2-c2cccc3ncccc23)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)nn2-c2cccc3cnccc23)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2cc(C(F)F)nn2-c2cccc3ncccc23)cc1.CCc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2cccc3ncccc23)n1
InChIInChI=1S/C24H26N4O2S.C23H22F2N4O2S.C22H19F3N4O3S.C22H20F2N4O3S/c1-5-18-16-23(27-31(29,30)19-13-11-17(12-14-19)24(2,3)4)28(26-18)22-10-6-9-21-20(22)8-7-15-25-21;1-23(2,3)15-9-11-16(12-10-15)32(30,31)28-21-14-19(22(24)25)27-29(21)20-8-4-7-18-17(20)6-5-13-26-18;1-14(2)32-16-6-8-17(9-7-16)33(30,31)28-21-12-20(22(23,24)25)27-29(21)19-5-3-4-15-13-26-11-10-18(15)19;1-14(2)31-15-8-10-16(11-9-15)32(29,30)27-21-13-19(22(23)24)26-28(21)20-7-3-6-18-17(20)5-4-12-25-18/h6-16,27H,5H2,1-4H3;4-14,22,28H,1-3H3;3-14,28H,1-2H3;3-14,22,27H,1-2H3
InChIKeyLEDUTPMRLFBNAX-UHFFFAOYSA-N
XLogP20.51
TPSA325.98 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds23
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001826.05
LogP ≤ 520.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Analyze 4-tert-butyl-N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-(3-ethyl-1-quinolin-5-ylpyrazol-5-yl)benzenesulfonamide;N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-yloxybenzenesulfonamide;N-[1-isoquinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]-4-propan-2-yloxybenzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-(3-ethyl-1-quinolin-5-ylpyrazol-5-yl)benzenesulfonamide;N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-yloxybenzenesulfonamide;N-[1-isoquinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-(3-ethyl-1-quinolin-5-ylpyrazol-5-yl)benzenesulfonamide;N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-yloxybenzenesulfonamide;N-[1-isoquinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]-4-propan-2-yloxybenzenesulfonamide (CID 159324282) is 4-tert-butyl-N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-(3-ethyl-1-quinolin-5-ylpyrazol-5-yl)benzenesulfonamide;N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-yloxybenzenesulfonamide;N-[1-isoquinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-(3-ethyl-1-quinolin-5-ylpyrazol-5-yl)benzenesulfonamide;N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-yloxybenzenesulfonamide;N-[1-isoquinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-(3-ethyl-1-quinolin-5-ylpyrazol-5-yl)benzenesulfonamide;N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-yloxybenzenesulfonamide;N-[1-isoquinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]-4-propan-2-yloxybenzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(C(F)F)nn2-c2cccc3ncccc23)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)nn2-c2cccc3cnccc23)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2cc(C(F)F)nn2-c2cccc3ncccc23)cc1.CCc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2cccc3ncccc23)n1.
What is the InChIKey of 4-tert-butyl-N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-(3-ethyl-1-quinolin-5-ylpyrazol-5-yl)benzenesulfonamide;N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-yloxybenzenesulfonamide;N-[1-isoquinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is LEDUTPMRLFBNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2S.C23H22F2N4O2S.C22H19F3N4O3S.C22H20F2N4O3S/c1-5-18-16-23(27-31(29,30)19-13-11-17(12-14-19)24(2,3)4)28(26-18)22-10-6-9-21-20(22)8-7-15-25-21;1-23(2,3)15-9-11-16(12-10-15)32(30,31)28-21-14-19(22(24)25)27-29(21)20-8-4-7-18-17(20)6-5-13-26-18;1-14(2)32-16-6-8-17(9-7-16)33(30,31)28-21-12-20(22(23,24)25)27-29(21)19-5-3-4-15-13-26-11-10-18(15)19;1-14(2)31-15-8-10-16(11-9-15)32(29,30)27-21-13-19(22(23)24)26-28(21)20-7-3-6-18-17(20)5-4-12-25-18/h6-16,27H,5H2,1-4H3;4-14,22,28H,1-3H3;3-14,28H,1-2H3;3-14,22,27H,1-2H3.
What are the key properties of 4-tert-butyl-N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-(3-ethyl-1-quinolin-5-ylpyrazol-5-yl)benzenesulfonamide;N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-yloxybenzenesulfonamide;N-[1-isoquinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]-4-propan-2-yloxybenzenesulfonamide?
4-tert-butyl-N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-(3-ethyl-1-quinolin-5-ylpyrazol-5-yl)benzenesulfonamide;N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-yloxybenzenesulfonamide;N-[1-isoquinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 1826.05 g/mol, XLogP of 20.51, 23 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-(3-ethyl-1-quinolin-5-ylpyrazol-5-yl)benzenesulfonamide;N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-yloxybenzenesulfonamide;N-[1-isoquinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 159324282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).