(carboxymethylamino)methyl-hydroxyphosphinate;N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide;3,6-dichloro-2-methoxybenzoic acid;trimethylsulfanium

C25H32Cl4F2N5O11PS2 — CID 173262802

About (carboxymethylamino)methyl-hydroxyphosphinate;N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide;3,6-dichloro-2-methoxybenzoic acid;trimethylsulfanium

(carboxymethylamino)methyl-hydroxyphosphinate;N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide;3,6-dichloro-2-methoxybenzoic acid;trimethylsulfanium (PubChem CID 173262802) has the molecular formula C25H32Cl4F2N5O11PS2 and a molecular weight of 853.47 g/mol. Its IUPAC name is (carboxymethylamino)methyl-hydroxyphosphinate;N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide;3,6-dichloro-2-methoxybenzoic acid;trimethylsulfanium.

Molecular Properties

• Compound Name: (carboxymethylamino)methyl-hydroxyphosphinate;N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide;3,6-dichloro-2-methoxybenzoic acid;trimethylsulfanium
• PubChem CID: 173262802
• Molecular Formula: C25H32Cl4F2N5O11PS2
• Molecular Weight: 853.47 g/mol
• Exact Mass: 851.00
• IUPAC Name: (carboxymethylamino)methyl-hydroxyphosphinate;N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide;3,6-dichloro-2-methoxybenzoic acid;trimethylsulfanium
• SMILES: COc1c(Cl)ccc(Cl)c1C(=O)O.C[S+](C)C.Cc1nn(-c2cc(NS(C)(=O)=O)c(Cl)cc2Cl)c(=O)n1C(F)F.O=C(O)CNCP(=O)([O-])O
• InChI: InChI=1S/C11H10Cl2F2N4O3S.C8H6Cl2O3.C3H8NO5P.C3H9S/c1-5-16-19(11(20)18(5)10(14)15)9-4-8(17-23(2,21)22)6(12)3-7(9)13;1-13-7-5(10)3-2-4(9)6(7)8(11)12;5-3(6)1-4-2-10(7,8)9;1-4(2)3/h3-4,10,17H,1-2H3;2-3H,1H3,(H,11,12);4H,1-2H2,(H,5,6)(H2,7,8,9);1-3H3/q;;;+1/p-1
• InChIKey: GCWCXFAEGLFZPZ-UHFFFAOYSA-M
• XLogP: 3.77
• TPSA: 242.21 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	853.47
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (carboxymethylamino)methyl-hydroxyphosphinate;N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide;3,6-dichloro-2-methoxybenzoic acid;trimethylsulfanium?

The IUPAC name of (carboxymethylamino)methyl-hydroxyphosphinate;N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide;3,6-dichloro-2-methoxybenzoic acid;trimethylsulfanium (CID 173262802) is (carboxymethylamino)methyl-hydroxyphosphinate;N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide;3,6-dichloro-2-methoxybenzoic acid;trimethylsulfanium.

What is the SMILES notation for (carboxymethylamino)methyl-hydroxyphosphinate;N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide;3,6-dichloro-2-methoxybenzoic acid;trimethylsulfanium?

The canonical SMILES for (carboxymethylamino)methyl-hydroxyphosphinate;N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide;3,6-dichloro-2-methoxybenzoic acid;trimethylsulfanium is COc1c(Cl)ccc(Cl)c1C(=O)O.C[S+](C)C.Cc1nn(-c2cc(NS(C)(=O)=O)c(Cl)cc2Cl)c(=O)n1C(F)F.O=C(O)CNCP(=O)([O-])O.

What is the InChIKey of (carboxymethylamino)methyl-hydroxyphosphinate;N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide;3,6-dichloro-2-methoxybenzoic acid;trimethylsulfanium?

The InChIKey is GCWCXFAEGLFZPZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H10Cl2F2N4O3S.C8H6Cl2O3.C3H8NO5P.C3H9S/c1-5-16-19(11(20)18(5)10(14)15)9-4-8(17-23(2,21)22)6(12)3-7(9)13;1-13-7-5(10)3-2-4(9)6(7)8(11)12;5-3(6)1-4-2-10(7,8)9;1-4(2)3/h3-4,10,17H,1-2H3;2-3H,1H3,(H,11,12);4H,1-2H2,(H,5,6)(H2,7,8,9);1-3H3/q;;;+1/p-1.

What are the key properties of (carboxymethylamino)methyl-hydroxyphosphinate;N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide;3,6-dichloro-2-methoxybenzoic acid;trimethylsulfanium?

(carboxymethylamino)methyl-hydroxyphosphinate;N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide;3,6-dichloro-2-methoxybenzoic acid;trimethylsulfanium has a molecular weight of 853.47 g/mol, XLogP of 3.77, 10 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (carboxymethylamino)methyl-hydroxyphosphinate;N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide;3,6-dichloro-2-methoxybenzoic acid;trimethylsulfanium is sourced from PubChem (CID 173262802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).