4-tert-butyl-N-(5-methyl-2-naphthalen-2-ylpyrazol-3-yl)benzenesulfonamide;4-tert-butyl-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide;4-(2-methylpropoxy)-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide;N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-propan-2-yloxybenzenesulfonamide

C92H92F3N15O10S4 — CID 159974576

IUPAC4-tert-butyl-N-(5-methyl-2-naphthalen-2-ylpyrazol-3-yl)benzenesulfonamide;4-tert-butyl-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide;4-(2-methylpropoxy)-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide;N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)nn2-c2cccc3ncccc23)cc1.Cc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2ccc3ccccc3c2)n1.Cc1cc(NS(=O)(=O)c2ccc(OC(C)C)cc2)n(-c2cccc3ncccc23)n1.Cc1cc(NS(=O)(=O)c2ccc(OCC(C)C)cc2)n(-c2cccc3ncccc23)n1
InChIInChI=1S/C24H25N3O2S.C23H21F3N4O2S.C23H24N4O3S.C22H22N4O3S/c1-17-15-23(26-30(28,29)22-13-10-20(11-14-22)24(2,3)4)27(25-17)21-12-9-18-7-5-6-8-19(18)16-21;1-22(2,3)15-9-11-16(12-10-15)33(31,32)29-21-14-20(23(24,25)26)28-30(21)19-8-4-7-18-17(19)6-5-13-27-18;1-16(2)15-30-18-9-11-19(12-10-18)31(28,29)26-23-14-17(3)25-27(23)22-8-4-7-21-20(22)6-5-13-24-21;1-15(2)29-17-9-11-18(12-10-17)30(27,28)25-22-14-16(3)24-26(22)21-8-4-7-20-19(21)6-5-13-23-20/h5-16,26H,1-4H3;4-14,29H,1-3H3;4-14,16,26H,15H2,1-3H3;4-15,25H,1-3H3
InChIKeyOEZDUKVQMZVEIV-UHFFFAOYSA-N
MW1753.10 g/mol
LogP19.85
Rot. Bonds21

About 4-tert-butyl-N-(5-methyl-2-naphthalen-2-ylpyrazol-3-yl)benzenesulfonamide;4-tert-butyl-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide;4-(2-methylpropoxy)-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide;N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-propan-2-yloxybenzenesulfonamide

4-tert-butyl-N-(5-methyl-2-naphthalen-2-ylpyrazol-3-yl)benzenesulfonamide;4-tert-butyl-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide;4-(2-methylpropoxy)-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide;N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-propan-2-yloxybenzenesulfonamide (PubChem CID 159974576) has the molecular formula C92H92F3N15O10S4 and a molecular weight of 1753.10 g/mol. Its IUPAC name is 4-tert-butyl-N-(5-methyl-2-naphthalen-2-ylpyrazol-3-yl)benzenesulfonamide;4-tert-butyl-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide;4-(2-methylpropoxy)-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide;N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-(5-methyl-2-naphthalen-2-ylpyrazol-3-yl)benzenesulfonamide;4-tert-butyl-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide;4-(2-methylpropoxy)-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide;N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-propan-2-yloxybenzenesulfonamide
PubChem CID159974576
Molecular FormulaC92H92F3N15O10S4
Molecular Weight1753.10 g/mol
Exact Mass1751.60
IUPAC Name4-tert-butyl-N-(5-methyl-2-naphthalen-2-ylpyrazol-3-yl)benzenesulfonamide;4-tert-butyl-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide;4-(2-methylpropoxy)-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide;N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)nn2-c2cccc3ncccc23)cc1.Cc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2ccc3ccccc3c2)n1.Cc1cc(NS(=O)(=O)c2ccc(OC(C)C)cc2)n(-c2cccc3ncccc23)n1.Cc1cc(NS(=O)(=O)c2ccc(OCC(C)C)cc2)n(-c2cccc3ncccc23)n1
InChIInChI=1S/C24H25N3O2S.C23H21F3N4O2S.C23H24N4O3S.C22H22N4O3S/c1-17-15-23(26-30(28,29)22-13-10-20(11-14-22)24(2,3)4)27(25-17)21-12-9-18-7-5-6-8-19(18)16-21;1-22(2,3)15-9-11-16(12-10-15)33(31,32)29-21-14-20(23(24,25)26)28-30(21)19-8-4-7-18-17(19)6-5-13-27-18;1-16(2)15-30-18-9-11-19(12-10-18)31(28,29)26-23-14-17(3)25-27(23)22-8-4-7-21-20(22)6-5-13-24-21;1-15(2)29-17-9-11-18(12-10-17)30(27,28)25-22-14-16(3)24-26(22)21-8-4-7-20-19(21)6-5-13-23-20/h5-16,26H,1-4H3;4-14,29H,1-3H3;4-14,16,26H,15H2,1-3H3;4-15,25H,1-3H3
InChIKeyOEZDUKVQMZVEIV-UHFFFAOYSA-N
XLogP19.85
TPSA313.09 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds21
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001753.10
LogP ≤ 519.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

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

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(5-methyl-2-naphthalen-2-ylpyrazol-3-yl)benzenesulfonamide;4-tert-butyl-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide;4-(2-methylpropoxy)-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide;N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-(5-methyl-2-naphthalen-2-ylpyrazol-3-yl)benzenesulfonamide;4-tert-butyl-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide;4-(2-methylpropoxy)-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide;N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-propan-2-yloxybenzenesulfonamide (CID 159974576) is 4-tert-butyl-N-(5-methyl-2-naphthalen-2-ylpyrazol-3-yl)benzenesulfonamide;4-tert-butyl-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide;4-(2-methylpropoxy)-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide;N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-(5-methyl-2-naphthalen-2-ylpyrazol-3-yl)benzenesulfonamide;4-tert-butyl-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide;4-(2-methylpropoxy)-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide;N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-(5-methyl-2-naphthalen-2-ylpyrazol-3-yl)benzenesulfonamide;4-tert-butyl-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide;4-(2-methylpropoxy)-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide;N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-propan-2-yloxybenzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)nn2-c2cccc3ncccc23)cc1.Cc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2ccc3ccccc3c2)n1.Cc1cc(NS(=O)(=O)c2ccc(OC(C)C)cc2)n(-c2cccc3ncccc23)n1.Cc1cc(NS(=O)(=O)c2ccc(OCC(C)C)cc2)n(-c2cccc3ncccc23)n1.
What is the InChIKey of 4-tert-butyl-N-(5-methyl-2-naphthalen-2-ylpyrazol-3-yl)benzenesulfonamide;4-tert-butyl-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide;4-(2-methylpropoxy)-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide;N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is OEZDUKVQMZVEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2S.C23H21F3N4O2S.C23H24N4O3S.C22H22N4O3S/c1-17-15-23(26-30(28,29)22-13-10-20(11-14-22)24(2,3)4)27(25-17)21-12-9-18-7-5-6-8-19(18)16-21;1-22(2,3)15-9-11-16(12-10-15)33(31,32)29-21-14-20(23(24,25)26)28-30(21)19-8-4-7-18-17(19)6-5-13-27-18;1-16(2)15-30-18-9-11-19(12-10-18)31(28,29)26-23-14-17(3)25-27(23)22-8-4-7-21-20(22)6-5-13-24-21;1-15(2)29-17-9-11-18(12-10-17)30(27,28)25-22-14-16(3)24-26(22)21-8-4-7-20-19(21)6-5-13-23-20/h5-16,26H,1-4H3;4-14,29H,1-3H3;4-14,16,26H,15H2,1-3H3;4-15,25H,1-3H3.
What are the key properties of 4-tert-butyl-N-(5-methyl-2-naphthalen-2-ylpyrazol-3-yl)benzenesulfonamide;4-tert-butyl-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide;4-(2-methylpropoxy)-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide;N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-propan-2-yloxybenzenesulfonamide?
4-tert-butyl-N-(5-methyl-2-naphthalen-2-ylpyrazol-3-yl)benzenesulfonamide;4-tert-butyl-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide;4-(2-methylpropoxy)-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide;N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 1753.10 g/mol, XLogP of 19.85, 21 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(5-methyl-2-naphthalen-2-ylpyrazol-3-yl)benzenesulfonamide;4-tert-butyl-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide;4-(2-methylpropoxy)-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide;N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 159974576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).