N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-3-hydroxy-2-(methanesulfonamido)butanamide

C14H19Cl2N3O5S — CID 142627822

IUPACN-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-3-hydroxy-2-(methanesulfonamido)butanamide
SMILESCON=C(CNC(=O)C(NS(C)(=O)=O)C(C)O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2N3O5S/c1-8(20)13(19-25(3,22)23)14(21)17-7-12(18-24-2)10-5-4-9(15)6-11(10)16/h4-6,8,13,19-20H,7H2,1-3H3,(H,17,21)
InChIKeyTULZOBDTMXHUET-UHFFFAOYSA-N
MW412.30 g/mol
LogP0.76
Rot. Bonds8

About N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-3-hydroxy-2-(methanesulfonamido)butanamide

N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-3-hydroxy-2-(methanesulfonamido)butanamide (PubChem CID 142627822) has the molecular formula C14H19Cl2N3O5S and a molecular weight of 412.30 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-3-hydroxy-2-(methanesulfonamido)butanamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-3-hydroxy-2-(methanesulfonamido)butanamide
PubChem CID142627822
Molecular FormulaC14H19Cl2N3O5S
Molecular Weight412.30 g/mol
Exact Mass411.04
IUPAC NameN-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-3-hydroxy-2-(methanesulfonamido)butanamide
SMILESCON=C(CNC(=O)C(NS(C)(=O)=O)C(C)O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2N3O5S/c1-8(20)13(19-25(3,22)23)14(21)17-7-12(18-24-2)10-5-4-9(15)6-11(10)16/h4-6,8,13,19-20H,7H2,1-3H3,(H,17,21)
InChIKeyTULZOBDTMXHUET-UHFFFAOYSA-N
XLogP0.76
TPSA117.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.30
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-3-hydroxy-2-(methanesulfonamido)butanamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-3-hydroxy-2-(methanesulfonamido)butanamide (CID 142627822) is N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-3-hydroxy-2-(methanesulfonamido)butanamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-3-hydroxy-2-(methanesulfonamido)butanamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-3-hydroxy-2-(methanesulfonamido)butanamide is CON=C(CNC(=O)C(NS(C)(=O)=O)C(C)O)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-3-hydroxy-2-(methanesulfonamido)butanamide?
The InChIKey is TULZOBDTMXHUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3O5S/c1-8(20)13(19-25(3,22)23)14(21)17-7-12(18-24-2)10-5-4-9(15)6-11(10)16/h4-6,8,13,19-20H,7H2,1-3H3,(H,17,21).
What are the key properties of N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-3-hydroxy-2-(methanesulfonamido)butanamide?
N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-3-hydroxy-2-(methanesulfonamido)butanamide has a molecular weight of 412.30 g/mol, XLogP of 0.76, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-3-hydroxy-2-(methanesulfonamido)butanamide is sourced from PubChem (CID 142627822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).