1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(6-methyl-3-pyridinyl)phenyl]cyclopropane-1-carboxamide;1-(3,4-dichlorophenyl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;1-(3,4-difluorophenyl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen

C70H70Cl2F2N6O9S2 — CID 157452385

About 1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(6-methyl-3-pyridinyl)phenyl]cyclopropane-1-carboxamide;1-(3,4-dichlorophenyl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;1-(3,4-difluorophenyl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen

1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(6-methyl-3-pyridinyl)phenyl]cyclopropane-1-carboxamide;1-(3,4-dichlorophenyl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;1-(3,4-difluorophenyl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 157452385) has the molecular formula C70H70Cl2F2N6O9S2 and a molecular weight of 1312.40 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(6-methyl-3-pyridinyl)phenyl]cyclopropane-1-carboxamide;1-(3,4-dichlorophenyl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;1-(3,4-difluorophenyl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: 1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(6-methyl-3-pyridinyl)phenyl]cyclopropane-1-carboxamide;1-(3,4-dichlorophenyl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;1-(3,4-difluorophenyl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen
• PubChem CID: 157452385
• Molecular Formula: C70H70Cl2F2N6O9S2
• Molecular Weight: 1312.40 g/mol
• Exact Mass: 1310.40
• IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(6-methyl-3-pyridinyl)phenyl]cyclopropane-1-carboxamide;1-(3,4-dichlorophenyl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;1-(3,4-difluorophenyl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen
• SMILES: CNS(=O)(=O)c1ccc(-c2cccc(NC(=O)C3(c4ccc(Cl)c(Cl)c4)CC3)c2)cc1.CNS(=O)(=O)c1ccc(-c2cccc(NC(=O)C3(c4ccc(F)c(F)c4)CC3)c2)cc1.Cc1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2C)cn1.[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C24H22N2O3.C23H20Cl2N2O3S.C23H20F2N2O3S.4H2/c1-15-3-7-19(12-20(15)17-5-4-16(2)25-13-17)26-23(27)24(9-10-24)18-6-8-21-22(11-18)29-14-28-21;2*1-26-31(29,30)19-8-5-15(6-9-19)16-3-2-4-18(13-16)27-22(28)23(11-12-23)17-7-10-20(24)21(25)14-17;;;;/h3-8,11-13H,9-10,14H2,1-2H3,(H,26,27);2*2-10,13-14,26H,11-12H2,1H3,(H,27,28);4*1H
• InChIKey: BSYJMPSPLPQVDC-UHFFFAOYSA-N
• XLogP: 15.20
• TPSA: 210.99 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 16
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1312.40
LogP ≤ 5	15.20
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(6-methyl-3-pyridinyl)phenyl]cyclopropane-1-carboxamide;1-(3,4-dichlorophenyl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;1-(3,4-difluorophenyl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen?

The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(6-methyl-3-pyridinyl)phenyl]cyclopropane-1-carboxamide;1-(3,4-dichlorophenyl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;1-(3,4-difluorophenyl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen (CID 157452385) is 1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(6-methyl-3-pyridinyl)phenyl]cyclopropane-1-carboxamide;1-(3,4-dichlorophenyl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;1-(3,4-difluorophenyl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen.

What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(6-methyl-3-pyridinyl)phenyl]cyclopropane-1-carboxamide;1-(3,4-dichlorophenyl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;1-(3,4-difluorophenyl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen?

The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(6-methyl-3-pyridinyl)phenyl]cyclopropane-1-carboxamide;1-(3,4-dichlorophenyl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;1-(3,4-difluorophenyl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen is CNS(=O)(=O)c1ccc(-c2cccc(NC(=O)C3(c4ccc(Cl)c(Cl)c4)CC3)c2)cc1.CNS(=O)(=O)c1ccc(-c2cccc(NC(=O)C3(c4ccc(F)c(F)c4)CC3)c2)cc1.Cc1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2C)cn1.[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(6-methyl-3-pyridinyl)phenyl]cyclopropane-1-carboxamide;1-(3,4-dichlorophenyl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;1-(3,4-difluorophenyl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen?

The InChIKey is BSYJMPSPLPQVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3.C23H20Cl2N2O3S.C23H20F2N2O3S.4H2/c1-15-3-7-19(12-20(15)17-5-4-16(2)25-13-17)26-23(27)24(9-10-24)18-6-8-21-22(11-18)29-14-28-21;2*1-26-31(29,30)19-8-5-15(6-9-19)16-3-2-4-18(13-16)27-22(28)23(11-12-23)17-7-10-20(24)21(25)14-17;;;;/h3-8,11-13H,9-10,14H2,1-2H3,(H,26,27);2*2-10,13-14,26H,11-12H2,1H3,(H,27,28);4*1H.

What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(6-methyl-3-pyridinyl)phenyl]cyclopropane-1-carboxamide;1-(3,4-dichlorophenyl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;1-(3,4-difluorophenyl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen?

1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(6-methyl-3-pyridinyl)phenyl]cyclopropane-1-carboxamide;1-(3,4-dichlorophenyl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;1-(3,4-difluorophenyl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 1312.40 g/mol, XLogP of 15.20, 16 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(6-methyl-3-pyridinyl)phenyl]cyclopropane-1-carboxamide;1-(3,4-dichlorophenyl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;1-(3,4-difluorophenyl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 157452385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).