3-chloropropane-1-sulfonamide;dichloromethane;3,5-dimethylaniline;3-[4-[[6-[(3,5-dimethylanilino)methyl]-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propane-1-sulfonamide;dioxomanganese;3-[4-[[6-formyl-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propane-1-sulfonamide;3-[4-[[6-(hydroxymethyl)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propane-1-sulfonamide;2-[[6-(hydroxymethyl)-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methane

C110H153Cl3MnN26O17S4 — CID 158051693

About 3-chloropropane-1-sulfonamide;dichloromethane;3,5-dimethylaniline;3-[4-[[6-[(3,5-dimethylanilino)methyl]-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propane-1-sulfonamide;dioxomanganese;3-[4-[[6-formyl-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propane-1-sulfonamide;3-[4-[[6-(hydroxymethyl)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propane-1-sulfonamide;2-[[6-(hydroxymethyl)-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methane

3-chloropropane-1-sulfonamide;dichloromethane;3,5-dimethylaniline;3-[4-[[6-[(3,5-dimethylanilino)methyl]-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propane-1-sulfonamide;dioxomanganese;3-[4-[[6-formyl-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propane-1-sulfonamide;3-[4-[[6-(hydroxymethyl)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propane-1-sulfonamide;2-[[6-(hydroxymethyl)-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methane (PubChem CID 158051693) has the molecular formula C110H153Cl3MnN26O17S4 and a molecular weight of 2401.16 g/mol. Its IUPAC name is 3-chloropropane-1-sulfonamide;dichloromethane;3,5-dimethylaniline;3-[4-[[6-[(3,5-dimethylanilino)methyl]-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propane-1-sulfonamide;dioxomanganese;3-[4-[[6-formyl-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propane-1-sulfonamide;3-[4-[[6-(hydroxymethyl)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propane-1-sulfonamide;2-[[6-(hydroxymethyl)-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methane.

Molecular Properties

• Compound Name: 3-chloropropane-1-sulfonamide;dichloromethane;3,5-dimethylaniline;3-[4-[[6-[(3,5-dimethylanilino)methyl]-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propane-1-sulfonamide;dioxomanganese;3-[4-[[6-formyl-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propane-1-sulfonamide;3-[4-[[6-(hydroxymethyl)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propane-1-sulfonamide;2-[[6-(hydroxymethyl)-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methane
• PubChem CID: 158051693
• Molecular Formula: C110H153Cl3MnN26O17S4
• Molecular Weight: 2401.16 g/mol
• Exact Mass: 2397.92
• IUPAC Name: 3-chloropropane-1-sulfonamide;dichloromethane;3,5-dimethylaniline;3-[4-[[6-[(3,5-dimethylanilino)methyl]-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propane-1-sulfonamide;dioxomanganese;3-[4-[[6-formyl-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propane-1-sulfonamide;3-[4-[[6-(hydroxymethyl)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propane-1-sulfonamide;2-[[6-(hydroxymethyl)-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methane
• SMILES: C.Cc1cc(C)cc(N)c1.Cc1cc(C)cc(NCc2ccc3nc(NC4CCN(CCCS(N)(=O)=O)CC4)n(Cc4nc(C)ccc4O)c3c2)c1.Cc1ccc(O)c(Cn2c(NC3CCN(CCCS(N)(=O)=O)CC3)nc3ccc(C=O)cc32)n1.Cc1ccc(O)c(Cn2c(NC3CCN(CCCS(N)(=O)=O)CC3)nc3ccc(CO)cc32)n1.Cc1ccc(O)c(Cn2c(NC3CCNCC3)nc3ccc(CO)cc32)n1.ClCCl.NS(=O)(=O)CCCCl.O=[Mn]=O
• InChI: InChI=1S/C31H41N7O3S.C23H32N6O4S.C23H30N6O4S.C20H25N5O2.C8H11N.C3H8ClNO2S.CH2Cl2.CH4.Mn.2O/c1-21-15-22(2)17-26(16-21)33-19-24-6-7-27-29(18-24)38(20-28-30(39)8-5-23(3)34-28)31(36-27)35-25-9-12-37(13-10-25)11-4-14-42(32,40)41;2*1-16-3-6-22(31)20(25-16)14-29-21-13-17(15-30)4-5-19(21)27-23(29)26-18-7-10-28(11-8-18)9-2-12-34(24,32)33;1-13-2-5-19(27)17(22-13)11-25-18-10-14(12-26)3-4-16(18)24-20(25)23-15-6-8-21-9-7-15;1-6-3-7(2)5-8(9)4-6;4-2-1-3-8(5,6)7;2-1-3;;;;/h5-8,15-18,25,33,39H,4,9-14,19-20H2,1-3H3,(H,35,36)(H2,32,40,41);3-6,13,18,30-31H,2,7-12,14-15H2,1H3,(H,26,27)(H2,24,32,33);3-6,13,15,18,31H,2,7-12,14H2,1H3,(H,26,27)(H2,24,32,33);2-5,10,15,21,26-27H,6-9,11-12H2,1H3,(H,23,24);3-5H,9H2,1-2H3;1-3H2,(H2,5,6,7);1H2;1H4
• InChIKey: ZZYOTHUULNTQEP-UHFFFAOYSA-N
• XLogP: 13.44
• TPSA: 643.99 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 39
• Rotatable Bonds: 37
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2401.16
LogP ≤ 5	13.44
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-chloropropane-1-sulfonamide;dichloromethane;3,5-dimethylaniline;3-[4-[[6-[(3,5-dimethylanilino)methyl]-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propane-1-sulfonamide;dioxomanganese;3-[4-[[6-formyl-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propane-1-sulfonamide;3-[4-[[6-(hydroxymethyl)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propane-1-sulfonamide;2-[[6-(hydroxymethyl)-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methane?

The IUPAC name of 3-chloropropane-1-sulfonamide;dichloromethane;3,5-dimethylaniline;3-[4-[[6-[(3,5-dimethylanilino)methyl]-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propane-1-sulfonamide;dioxomanganese;3-[4-[[6-formyl-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propane-1-sulfonamide;3-[4-[[6-(hydroxymethyl)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propane-1-sulfonamide;2-[[6-(hydroxymethyl)-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methane (CID 158051693) is 3-chloropropane-1-sulfonamide;dichloromethane;3,5-dimethylaniline;3-[4-[[6-[(3,5-dimethylanilino)methyl]-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propane-1-sulfonamide;dioxomanganese;3-[4-[[6-formyl-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propane-1-sulfonamide;3-[4-[[6-(hydroxymethyl)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propane-1-sulfonamide;2-[[6-(hydroxymethyl)-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methane.

What is the SMILES notation for 3-chloropropane-1-sulfonamide;dichloromethane;3,5-dimethylaniline;3-[4-[[6-[(3,5-dimethylanilino)methyl]-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propane-1-sulfonamide;dioxomanganese;3-[4-[[6-formyl-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propane-1-sulfonamide;3-[4-[[6-(hydroxymethyl)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propane-1-sulfonamide;2-[[6-(hydroxymethyl)-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methane?

The canonical SMILES for 3-chloropropane-1-sulfonamide;dichloromethane;3,5-dimethylaniline;3-[4-[[6-[(3,5-dimethylanilino)methyl]-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propane-1-sulfonamide;dioxomanganese;3-[4-[[6-formyl-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propane-1-sulfonamide;3-[4-[[6-(hydroxymethyl)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propane-1-sulfonamide;2-[[6-(hydroxymethyl)-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methane is C.Cc1cc(C)cc(N)c1.Cc1cc(C)cc(NCc2ccc3nc(NC4CCN(CCCS(N)(=O)=O)CC4)n(Cc4nc(C)ccc4O)c3c2)c1.Cc1ccc(O)c(Cn2c(NC3CCN(CCCS(N)(=O)=O)CC3)nc3ccc(C=O)cc32)n1.Cc1ccc(O)c(Cn2c(NC3CCN(CCCS(N)(=O)=O)CC3)nc3ccc(CO)cc32)n1.Cc1ccc(O)c(Cn2c(NC3CCNCC3)nc3ccc(CO)cc32)n1.ClCCl.NS(=O)(=O)CCCCl.O=[Mn]=O.

What is the InChIKey of 3-chloropropane-1-sulfonamide;dichloromethane;3,5-dimethylaniline;3-[4-[[6-[(3,5-dimethylanilino)methyl]-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propane-1-sulfonamide;dioxomanganese;3-[4-[[6-formyl-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propane-1-sulfonamide;3-[4-[[6-(hydroxymethyl)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propane-1-sulfonamide;2-[[6-(hydroxymethyl)-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methane?

The InChIKey is ZZYOTHUULNTQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41N7O3S.C23H32N6O4S.C23H30N6O4S.C20H25N5O2.C8H11N.C3H8ClNO2S.CH2Cl2.CH4.Mn.2O/c1-21-15-22(2)17-26(16-21)33-19-24-6-7-27-29(18-24)38(20-28-30(39)8-5-23(3)34-28)31(36-27)35-25-9-12-37(13-10-25)11-4-14-42(32,40)41;2*1-16-3-6-22(31)20(25-16)14-29-21-13-17(15-30)4-5-19(21)27-23(29)26-18-7-10-28(11-8-18)9-2-12-34(24,32)33;1-13-2-5-19(27)17(22-13)11-25-18-10-14(12-26)3-4-16(18)24-20(25)23-15-6-8-21-9-7-15;1-6-3-7(2)5-8(9)4-6;4-2-1-3-8(5,6)7;2-1-3;;;;/h5-8,15-18,25,33,39H,4,9-14,19-20H2,1-3H3,(H,35,36)(H2,32,40,41);3-6,13,18,30-31H,2,7-12,14-15H2,1H3,(H,26,27)(H2,24,32,33);3-6,13,15,18,31H,2,7-12,14H2,1H3,(H,26,27)(H2,24,32,33);2-5,10,15,21,26-27H,6-9,11-12H2,1H3,(H,23,24);3-5H,9H2,1-2H3;1-3H2,(H2,5,6,7);1H2;1H4;;;.

What are the key properties of 3-chloropropane-1-sulfonamide;dichloromethane;3,5-dimethylaniline;3-[4-[[6-[(3,5-dimethylanilino)methyl]-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propane-1-sulfonamide;dioxomanganese;3-[4-[[6-formyl-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propane-1-sulfonamide;3-[4-[[6-(hydroxymethyl)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propane-1-sulfonamide;2-[[6-(hydroxymethyl)-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methane?

3-chloropropane-1-sulfonamide;dichloromethane;3,5-dimethylaniline;3-[4-[[6-[(3,5-dimethylanilino)methyl]-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propane-1-sulfonamide;dioxomanganese;3-[4-[[6-formyl-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propane-1-sulfonamide;3-[4-[[6-(hydroxymethyl)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propane-1-sulfonamide;2-[[6-(hydroxymethyl)-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methane has a molecular weight of 2401.16 g/mol, XLogP of 13.44, 37 rotatable bonds, 17 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloropropane-1-sulfonamide;dichloromethane;3,5-dimethylaniline;3-[4-[[6-[(3,5-dimethylanilino)methyl]-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propane-1-sulfonamide;dioxomanganese;3-[4-[[6-formyl-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propane-1-sulfonamide;3-[4-[[6-(hydroxymethyl)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propane-1-sulfonamide;2-[[6-(hydroxymethyl)-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;methane is sourced from PubChem (CID 158051693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).