4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-methyl-3-pyridinyl]benzenesulfonamide;3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-pyridinyl]-N-methylbenzamide;4-[4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]phenyl]sulfonylpiperazin-2-one;N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide;molecular hydrogen

C102H106N10O19S3 — CID 157185065

About 4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-methyl-3-pyridinyl]benzenesulfonamide;3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-pyridinyl]-N-methylbenzamide;4-[4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]phenyl]sulfonylpiperazin-2-one;N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide;molecular hydrogen

4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-methyl-3-pyridinyl]benzenesulfonamide;3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-pyridinyl]-N-methylbenzamide;4-[4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]phenyl]sulfonylpiperazin-2-one;N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide;molecular hydrogen (PubChem CID 157185065) has the molecular formula C102H106N10O19S3 and a molecular weight of 1872.22 g/mol. Its IUPAC name is 4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-methyl-3-pyridinyl]benzenesulfonamide;3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-pyridinyl]-N-methylbenzamide;4-[4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]phenyl]sulfonylpiperazin-2-one;N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: 4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-methyl-3-pyridinyl]benzenesulfonamide;3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-pyridinyl]-N-methylbenzamide;4-[4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]phenyl]sulfonylpiperazin-2-one;N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide;molecular hydrogen
• PubChem CID: 157185065
• Molecular Formula: C102H106N10O19S3
• Molecular Weight: 1872.22 g/mol
• Exact Mass: 1870.68
• IUPAC Name: 4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-methyl-3-pyridinyl]benzenesulfonamide;3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-pyridinyl]-N-methylbenzamide;4-[4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]phenyl]sulfonylpiperazin-2-one;N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide;molecular hydrogen
• SMILES: CNC(=O)c1cccc(-c2ccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)nc2)c1.COc1ccc(C2(C(=O)Nc3cccc(-c4ccc(CNS(C)(=O)=O)cc4)n3)CCCC2)cc1.Cc1nc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)ccc1-c1ccc(S(N)(=O)=O)cc1.O=C1CN(S(=O)(=O)c2ccc(-c3cccc(CC(=O)C4(c5ccc6c(c5)OCO6)CC4)n3)cc2)CCN1.[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C27H25N3O6S.C26H29N3O4S.C25H22N2O4.C24H22N2O5S.4H2/c31-25(27(10-11-27)19-6-9-23-24(14-19)36-17-35-23)15-20-2-1-3-22(29-20)18-4-7-21(8-5-18)37(33,34)30-13-12-28-26(32)16-30;1-33-22-14-12-21(13-15-22)26(16-3-4-17-26)25(30)29-24-7-5-6-23(28-24)20-10-8-19(9-11-20)18-27-34(2,31)32;1-26-24(29)17-4-2-3-16(11-17)18-5-7-20(27-14-18)13-23(28)25(9-10-25)19-6-8-21-22(12-19)31-15-30-21;1-15-20(16-2-6-19(7-3-16)32(25,28)29)8-5-18(26-15)13-23(27)24(10-11-24)17-4-9-21-22(12-17)31-14-30-21;;;;/h1-9,14H,10-13,15-17H2,(H,28,32);5-15,27H,3-4,16-18H2,1-2H3,(H,28,29,30);2-8,11-12,14H,9-10,13,15H2,1H3,(H,26,29);2-9,12H,10-11,13-14H2,1H3,(H2,25,28,29);4*1H
• InChIKey: APAGECULHJUYJK-UHFFFAOYSA-N
• XLogP: 14.64
• TPSA: 398.39 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 27
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1872.22
LogP ≤ 5	14.64
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-methyl-3-pyridinyl]benzenesulfonamide;3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-pyridinyl]-N-methylbenzamide;4-[4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]phenyl]sulfonylpiperazin-2-one;N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide;molecular hydrogen?

The IUPAC name of 4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-methyl-3-pyridinyl]benzenesulfonamide;3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-pyridinyl]-N-methylbenzamide;4-[4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]phenyl]sulfonylpiperazin-2-one;N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide;molecular hydrogen (CID 157185065) is 4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-methyl-3-pyridinyl]benzenesulfonamide;3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-pyridinyl]-N-methylbenzamide;4-[4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]phenyl]sulfonylpiperazin-2-one;N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide;molecular hydrogen.

What is the SMILES notation for 4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-methyl-3-pyridinyl]benzenesulfonamide;3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-pyridinyl]-N-methylbenzamide;4-[4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]phenyl]sulfonylpiperazin-2-one;N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide;molecular hydrogen?

The canonical SMILES for 4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-methyl-3-pyridinyl]benzenesulfonamide;3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-pyridinyl]-N-methylbenzamide;4-[4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]phenyl]sulfonylpiperazin-2-one;N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide;molecular hydrogen is CNC(=O)c1cccc(-c2ccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)nc2)c1.COc1ccc(C2(C(=O)Nc3cccc(-c4ccc(CNS(C)(=O)=O)cc4)n3)CCCC2)cc1.Cc1nc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)ccc1-c1ccc(S(N)(=O)=O)cc1.O=C1CN(S(=O)(=O)c2ccc(-c3cccc(CC(=O)C4(c5ccc6c(c5)OCO6)CC4)n3)cc2)CCN1.[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-methyl-3-pyridinyl]benzenesulfonamide;3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-pyridinyl]-N-methylbenzamide;4-[4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]phenyl]sulfonylpiperazin-2-one;N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide;molecular hydrogen?

The InChIKey is APAGECULHJUYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O6S.C26H29N3O4S.C25H22N2O4.C24H22N2O5S.4H2/c31-25(27(10-11-27)19-6-9-23-24(14-19)36-17-35-23)15-20-2-1-3-22(29-20)18-4-7-21(8-5-18)37(33,34)30-13-12-28-26(32)16-30;1-33-22-14-12-21(13-15-22)26(16-3-4-17-26)25(30)29-24-7-5-6-23(28-24)20-10-8-19(9-11-20)18-27-34(2,31)32;1-26-24(29)17-4-2-3-16(11-17)18-5-7-20(27-14-18)13-23(28)25(9-10-25)19-6-8-21-22(12-19)31-15-30-21;1-15-20(16-2-6-19(7-3-16)32(25,28)29)8-5-18(26-15)13-23(27)24(10-11-24)17-4-9-21-22(12-17)31-14-30-21;;;;/h1-9,14H,10-13,15-17H2,(H,28,32);5-15,27H,3-4,16-18H2,1-2H3,(H,28,29,30);2-8,11-12,14H,9-10,13,15H2,1H3,(H,26,29);2-9,12H,10-11,13-14H2,1H3,(H2,25,28,29);4*1H.

What are the key properties of 4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-methyl-3-pyridinyl]benzenesulfonamide;3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-pyridinyl]-N-methylbenzamide;4-[4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]phenyl]sulfonylpiperazin-2-one;N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide;molecular hydrogen?

4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-methyl-3-pyridinyl]benzenesulfonamide;3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-pyridinyl]-N-methylbenzamide;4-[4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]phenyl]sulfonylpiperazin-2-one;N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide;molecular hydrogen has a molecular weight of 1872.22 g/mol, XLogP of 14.64, 27 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-methyl-3-pyridinyl]benzenesulfonamide;3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-pyridinyl]-N-methylbenzamide;4-[4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]phenyl]sulfonylpiperazin-2-one;N-[6-[4-(methanesulfonamidomethyl)phenyl]-2-pyridinyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 157185065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).