N-[[4-(acetylsulfamoyl)cyclohexyl]methyl]-4-chloro-5-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-1-ethylpyrazole-3-carboxamide

C27H34ClF5N4O5S — CID 153296267

About N-[[4-(acetylsulfamoyl)cyclohexyl]methyl]-4-chloro-5-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-1-ethylpyrazole-3-carboxamide

N-[[4-(acetylsulfamoyl)cyclohexyl]methyl]-4-chloro-5-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-1-ethylpyrazole-3-carboxamide (PubChem CID 153296267) has the molecular formula C27H34ClF5N4O5S and a molecular weight of 657.10 g/mol. Its IUPAC name is N-[[4-(acetylsulfamoyl)cyclohexyl]methyl]-4-chloro-5-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-1-ethylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[[4-(acetylsulfamoyl)cyclohexyl]methyl]-4-chloro-5-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-1-ethylpyrazole-3-carboxamide
• PubChem CID: 153296267
• Molecular Formula: C27H34ClF5N4O5S
• Molecular Weight: 657.10 g/mol
• Exact Mass: 656.19
• IUPAC Name: N-[[4-(acetylsulfamoyl)cyclohexyl]methyl]-4-chloro-5-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-1-ethylpyrazole-3-carboxamide
• SMILES: CCn1nc(C(=O)NCC2CCC(S(=O)(=O)NC(C)=O)CC2)c(Cl)c1-c1ccc(CC(C)(C)C(F)(F)F)cc1OC(F)F
• InChI: InChI=1S/C27H34ClF5N4O5S/c1-5-37-23(19-11-8-17(12-20(19)42-25(29)30)13-26(3,4)27(31,32)33)21(28)22(35-37)24(39)34-14-16-6-9-18(10-7-16)43(40,41)36-15(2)38/h8,11-12,16,18,25H,5-7,9-10,13-14H2,1-4H3,(H,34,39)(H,36,38)
• InChIKey: MPASSEAUBOGYFW-UHFFFAOYSA-N
• XLogP: 5.71
• TPSA: 119.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	657.10
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[4-(acetylsulfamoyl)cyclohexyl]methyl]-4-chloro-5-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-1-ethylpyrazole-3-carboxamide?

The IUPAC name of N-[[4-(acetylsulfamoyl)cyclohexyl]methyl]-4-chloro-5-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-1-ethylpyrazole-3-carboxamide (CID 153296267) is N-[[4-(acetylsulfamoyl)cyclohexyl]methyl]-4-chloro-5-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-1-ethylpyrazole-3-carboxamide.

What is the SMILES notation for N-[[4-(acetylsulfamoyl)cyclohexyl]methyl]-4-chloro-5-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-1-ethylpyrazole-3-carboxamide?

The canonical SMILES for N-[[4-(acetylsulfamoyl)cyclohexyl]methyl]-4-chloro-5-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-1-ethylpyrazole-3-carboxamide is CCn1nc(C(=O)NCC2CCC(S(=O)(=O)NC(C)=O)CC2)c(Cl)c1-c1ccc(CC(C)(C)C(F)(F)F)cc1OC(F)F.

What is the InChIKey of N-[[4-(acetylsulfamoyl)cyclohexyl]methyl]-4-chloro-5-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-1-ethylpyrazole-3-carboxamide?

The InChIKey is MPASSEAUBOGYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34ClF5N4O5S/c1-5-37-23(19-11-8-17(12-20(19)42-25(29)30)13-26(3,4)27(31,32)33)21(28)22(35-37)24(39)34-14-16-6-9-18(10-7-16)43(40,41)36-15(2)38/h8,11-12,16,18,25H,5-7,9-10,13-14H2,1-4H3,(H,34,39)(H,36,38).

What are the key properties of N-[[4-(acetylsulfamoyl)cyclohexyl]methyl]-4-chloro-5-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-1-ethylpyrazole-3-carboxamide?

N-[[4-(acetylsulfamoyl)cyclohexyl]methyl]-4-chloro-5-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-1-ethylpyrazole-3-carboxamide has a molecular weight of 657.10 g/mol, XLogP of 5.71, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(acetylsulfamoyl)cyclohexyl]methyl]-4-chloro-5-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 153296267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).