3-[[2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;3-[[2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;3-[[2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;3-[[2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;methane

C93H112F4N20O16S4 — CID 158488252

About 3-[[2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;3-[[2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;3-[[2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;3-[[2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;methane

3-[[2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;3-[[2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;3-[[2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;3-[[2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;methane (PubChem CID 158488252) has the molecular formula C93H112F4N20O16S4 and a molecular weight of 1970.30 g/mol. Its IUPAC name is 3-[[2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;3-[[2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;3-[[2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;3-[[2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;methane.

Molecular Properties

• Compound Name: 3-[[2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;3-[[2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;3-[[2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;3-[[2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;methane
• PubChem CID: 158488252
• Molecular Formula: C93H112F4N20O16S4
• Molecular Weight: 1970.30 g/mol
• Exact Mass: 1968.74
• IUPAC Name: 3-[[2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;3-[[2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;3-[[2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;3-[[2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;methane
• SMILES: C.CC(C)c1cc(F)cc(-c2cccnc2)c1CC(=O)NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)n1.CC(C)c1cc(F)cc(C(C)C)c1CC(=O)NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)n1.Cc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2cc(C(=O)N(C)C)n(C)n2)ccn1.[C-]#[N+]c1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2cc(C(=O)N(C)C)n(C)n2)ccn1
• InChI: InChI=1S/C24H25FN6O4S.C24H28FN5O4S.C23H26FN5O4S.C21H29FN4O4S.CH4/c1-14(2)17-10-16(25)11-18(15-7-8-27-21(9-15)26-3)19(17)12-22(32)29-36(34,35)23-13-20(31(6)28-23)24(33)30(4)5;1-14(2)18-10-17(25)11-19(16-7-8-26-15(3)9-16)20(18)12-22(31)28-35(33,34)23-13-21(30(6)27-23)24(32)29(4)5;1-14(2)17-9-16(24)10-18(15-7-6-8-25-13-15)19(17)11-21(30)27-34(32,33)22-12-20(29(5)26-22)23(31)28(3)4;1-12(2)15-8-14(22)9-16(13(3)4)17(15)10-19(27)24-31(29,30)20-11-18(26(7)23-20)21(28)25(5)6;/h7-11,13-14H,12H2,1-2,4-6H3,(H,29,32);7-11,13-14H,12H2,1-6H3,(H,28,31);6-10,12-14H,11H2,1-5H3,(H,27,30);8-9,11-13H,10H2,1-7H3,(H,24,27);1H4
• InChIKey: HIJHMVNKRSZIJF-UHFFFAOYSA-N
• XLogP: 11.53
• TPSA: 448.51 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 28
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1970.30
LogP ≤ 5	11.53
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;3-[[2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;3-[[2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;3-[[2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;methane?

The IUPAC name of 3-[[2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;3-[[2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;3-[[2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;3-[[2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;methane (CID 158488252) is 3-[[2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;3-[[2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;3-[[2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;3-[[2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;methane.

What is the SMILES notation for 3-[[2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;3-[[2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;3-[[2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;3-[[2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;methane?

The canonical SMILES for 3-[[2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;3-[[2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;3-[[2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;3-[[2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;methane is C.CC(C)c1cc(F)cc(-c2cccnc2)c1CC(=O)NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)n1.CC(C)c1cc(F)cc(C(C)C)c1CC(=O)NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)n1.Cc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2cc(C(=O)N(C)C)n(C)n2)ccn1.[C-]#[N+]c1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2cc(C(=O)N(C)C)n(C)n2)ccn1.

What is the InChIKey of 3-[[2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;3-[[2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;3-[[2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;3-[[2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;methane?

The InChIKey is HIJHMVNKRSZIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O4S.C24H28FN5O4S.C23H26FN5O4S.C21H29FN4O4S.CH4/c1-14(2)17-10-16(25)11-18(15-7-8-27-21(9-15)26-3)19(17)12-22(32)29-36(34,35)23-13-20(31(6)28-23)24(33)30(4)5;1-14(2)18-10-17(25)11-19(16-7-8-26-15(3)9-16)20(18)12-22(31)28-35(33,34)23-13-21(30(6)27-23)24(32)29(4)5;1-14(2)17-9-16(24)10-18(15-7-6-8-25-13-15)19(17)11-21(30)27-34(32,33)22-12-20(29(5)26-22)23(31)28(3)4;1-12(2)15-8-14(22)9-16(13(3)4)17(15)10-19(27)24-31(29,30)20-11-18(26(7)23-20)21(28)25(5)6;/h7-11,13-14H,12H2,1-2,4-6H3,(H,29,32);7-11,13-14H,12H2,1-6H3,(H,28,31);6-10,12-14H,11H2,1-5H3,(H,27,30);8-9,11-13H,10H2,1-7H3,(H,24,27);1H4.

What are the key properties of 3-[[2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;3-[[2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;3-[[2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;3-[[2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;methane?

3-[[2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;3-[[2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;3-[[2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;3-[[2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;methane has a molecular weight of 1970.30 g/mol, XLogP of 11.53, 28 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;3-[[2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;3-[[2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;3-[[2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetyl]sulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;methane is sourced from PubChem (CID 158488252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).