dichloromethane;4-[2-[[2-(2,4-dichlorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]-N,N,3-trimethylbenzamide;2-(2,4-dichlorophenyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;N,N-diethylethanamine;2-[4-(dimethylcarbamoyl)-2-methylphenyl]ethanesulfonyl chloride

C57H74Cl7N9O8S2 — CID 157174016

About dichloromethane;4-[2-[[2-(2,4-dichlorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]-N,N,3-trimethylbenzamide;2-(2,4-dichlorophenyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;N,N-diethylethanamine;2-[4-(dimethylcarbamoyl)-2-methylphenyl]ethanesulfonyl chloride

dichloromethane;4-[2-[[2-(2,4-dichlorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]-N,N,3-trimethylbenzamide;2-(2,4-dichlorophenyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;N,N-diethylethanamine;2-[4-(dimethylcarbamoyl)-2-methylphenyl]ethanesulfonyl chloride (PubChem CID 157174016) has the molecular formula C57H74Cl7N9O8S2 and a molecular weight of 1325.58 g/mol. Its IUPAC name is dichloromethane;4-[2-[[2-(2,4-dichlorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]-N,N,3-trimethylbenzamide;2-(2,4-dichlorophenyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;N,N-diethylethanamine;2-[4-(dimethylcarbamoyl)-2-methylphenyl]ethanesulfonyl chloride.

Molecular Properties

• Compound Name: dichloromethane;4-[2-[[2-(2,4-dichlorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]-N,N,3-trimethylbenzamide;2-(2,4-dichlorophenyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;N,N-diethylethanamine;2-[4-(dimethylcarbamoyl)-2-methylphenyl]ethanesulfonyl chloride
• PubChem CID: 157174016
• Molecular Formula: C57H74Cl7N9O8S2
• Molecular Weight: 1325.58 g/mol
• Exact Mass: 1321.29
• IUPAC Name: dichloromethane;4-[2-[[2-(2,4-dichlorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]-N,N,3-trimethylbenzamide;2-(2,4-dichlorophenyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;N,N-diethylethanamine;2-[4-(dimethylcarbamoyl)-2-methylphenyl]ethanesulfonyl chloride
• SMILES: CCN(CC)CC.Cc1cc(C(=O)N(C)C)ccc1CCS(=O)(=O)Cl.Cc1cc(C(=O)N(C)C)ccc1CCS(=O)(=O)N1CCC2(CC1)N=C(c1ccc(Cl)cc1Cl)NC2=O.ClCCl.O=C1NC(c2ccc(Cl)cc2Cl)=NC12CCNCC2
• InChI: InChI=1S/C25H28Cl2N4O4S.C13H13Cl2N3O.C12H16ClNO3S.C6H15N.CH2Cl2/c1-16-14-18(23(32)30(2)3)5-4-17(16)8-13-36(34,35)31-11-9-25(10-12-31)24(33)28-22(29-25)20-7-6-19(26)15-21(20)27;14-8-1-2-9(10(15)7-8)11-17-12(19)13(18-11)3-5-16-6-4-13;1-9-8-11(12(15)14(2)3)5-4-10(9)6-7-18(13,16)17;1-4-7(5-2)6-3;2-1-3/h4-7,14-15H,8-13H2,1-3H3,(H,28,29,33);1-2,7,16H,3-6H2,(H,17,18,19);4-5,8H,6-7H2,1-3H3;4-6H2,1-3H3;1H2
• InChIKey: ANUKCLGMQXOTKR-UHFFFAOYSA-N
• XLogP: 9.86
• TPSA: 210.33 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1325.58
LogP ≤ 5	9.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of dichloromethane;4-[2-[[2-(2,4-dichlorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]-N,N,3-trimethylbenzamide;2-(2,4-dichlorophenyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;N,N-diethylethanamine;2-[4-(dimethylcarbamoyl)-2-methylphenyl]ethanesulfonyl chloride?

The IUPAC name of dichloromethane;4-[2-[[2-(2,4-dichlorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]-N,N,3-trimethylbenzamide;2-(2,4-dichlorophenyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;N,N-diethylethanamine;2-[4-(dimethylcarbamoyl)-2-methylphenyl]ethanesulfonyl chloride (CID 157174016) is dichloromethane;4-[2-[[2-(2,4-dichlorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]-N,N,3-trimethylbenzamide;2-(2,4-dichlorophenyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;N,N-diethylethanamine;2-[4-(dimethylcarbamoyl)-2-methylphenyl]ethanesulfonyl chloride.

What is the SMILES notation for dichloromethane;4-[2-[[2-(2,4-dichlorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]-N,N,3-trimethylbenzamide;2-(2,4-dichlorophenyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;N,N-diethylethanamine;2-[4-(dimethylcarbamoyl)-2-methylphenyl]ethanesulfonyl chloride?

The canonical SMILES for dichloromethane;4-[2-[[2-(2,4-dichlorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]-N,N,3-trimethylbenzamide;2-(2,4-dichlorophenyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;N,N-diethylethanamine;2-[4-(dimethylcarbamoyl)-2-methylphenyl]ethanesulfonyl chloride is CCN(CC)CC.Cc1cc(C(=O)N(C)C)ccc1CCS(=O)(=O)Cl.Cc1cc(C(=O)N(C)C)ccc1CCS(=O)(=O)N1CCC2(CC1)N=C(c1ccc(Cl)cc1Cl)NC2=O.ClCCl.O=C1NC(c2ccc(Cl)cc2Cl)=NC12CCNCC2.

What is the InChIKey of dichloromethane;4-[2-[[2-(2,4-dichlorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]-N,N,3-trimethylbenzamide;2-(2,4-dichlorophenyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;N,N-diethylethanamine;2-[4-(dimethylcarbamoyl)-2-methylphenyl]ethanesulfonyl chloride?

The InChIKey is ANUKCLGMQXOTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28Cl2N4O4S.C13H13Cl2N3O.C12H16ClNO3S.C6H15N.CH2Cl2/c1-16-14-18(23(32)30(2)3)5-4-17(16)8-13-36(34,35)31-11-9-25(10-12-31)24(33)28-22(29-25)20-7-6-19(26)15-21(20)27;14-8-1-2-9(10(15)7-8)11-17-12(19)13(18-11)3-5-16-6-4-13;1-9-8-11(12(15)14(2)3)5-4-10(9)6-7-18(13,16)17;1-4-7(5-2)6-3;2-1-3/h4-7,14-15H,8-13H2,1-3H3,(H,28,29,33);1-2,7,16H,3-6H2,(H,17,18,19);4-5,8H,6-7H2,1-3H3;4-6H2,1-3H3;1H2.

What are the key properties of dichloromethane;4-[2-[[2-(2,4-dichlorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]-N,N,3-trimethylbenzamide;2-(2,4-dichlorophenyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;N,N-diethylethanamine;2-[4-(dimethylcarbamoyl)-2-methylphenyl]ethanesulfonyl chloride?

dichloromethane;4-[2-[[2-(2,4-dichlorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]-N,N,3-trimethylbenzamide;2-(2,4-dichlorophenyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;N,N-diethylethanamine;2-[4-(dimethylcarbamoyl)-2-methylphenyl]ethanesulfonyl chloride has a molecular weight of 1325.58 g/mol, XLogP of 9.86, 14 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for dichloromethane;4-[2-[[2-(2,4-dichlorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]-N,N,3-trimethylbenzamide;2-(2,4-dichlorophenyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;N,N-diethylethanamine;2-[4-(dimethylcarbamoyl)-2-methylphenyl]ethanesulfonyl chloride is sourced from PubChem (CID 157174016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).