1-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]sulfonylamino]-N-hydroxy-2-phenylcyclopropane-1-carboxamide

C23H20Cl2N2O5S — CID 11785461

IUPAC1-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]sulfonylamino]-N-hydroxy-2-phenylcyclopropane-1-carboxamide
SMILESO=C(NO)C1(NS(=O)(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)CC1c1ccccc1
InChIInChI=1S/C23H20Cl2N2O5S/c24-17-7-6-16(21(25)12-17)14-32-18-8-10-19(11-9-18)33(30,31)27-23(22(28)26-29)13-20(23)15-4-2-1-3-5-15/h1-12,20,27,29H,13-14H2,(H,26,28)
InChIKeyIZHLUQACKGTDCN-UHFFFAOYSA-N
MW507.40 g/mol
LogP4.28
Rot. Bonds8

About 1-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]sulfonylamino]-N-hydroxy-2-phenylcyclopropane-1-carboxamide

1-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]sulfonylamino]-N-hydroxy-2-phenylcyclopropane-1-carboxamide (PubChem CID 11785461) has the molecular formula C23H20Cl2N2O5S and a molecular weight of 507.40 g/mol. Its IUPAC name is 1-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]sulfonylamino]-N-hydroxy-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]sulfonylamino]-N-hydroxy-2-phenylcyclopropane-1-carboxamide
PubChem CID11785461
Molecular FormulaC23H20Cl2N2O5S
Molecular Weight507.40 g/mol
Exact Mass506.05
IUPAC Name1-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]sulfonylamino]-N-hydroxy-2-phenylcyclopropane-1-carboxamide
SMILESO=C(NO)C1(NS(=O)(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)CC1c1ccccc1
InChIInChI=1S/C23H20Cl2N2O5S/c24-17-7-6-16(21(25)12-17)14-32-18-8-10-19(11-9-18)33(30,31)27-23(22(28)26-29)13-20(23)15-4-2-1-3-5-15/h1-12,20,27,29H,13-14H2,(H,26,28)
InChIKeyIZHLUQACKGTDCN-UHFFFAOYSA-N
XLogP4.28
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.40
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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 1-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]sulfonylamino]-N-hydroxy-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of 1-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]sulfonylamino]-N-hydroxy-2-phenylcyclopropane-1-carboxamide (CID 11785461) is 1-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]sulfonylamino]-N-hydroxy-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]sulfonylamino]-N-hydroxy-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for 1-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]sulfonylamino]-N-hydroxy-2-phenylcyclopropane-1-carboxamide is O=C(NO)C1(NS(=O)(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)CC1c1ccccc1.
What is the InChIKey of 1-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]sulfonylamino]-N-hydroxy-2-phenylcyclopropane-1-carboxamide?
The InChIKey is IZHLUQACKGTDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N2O5S/c24-17-7-6-16(21(25)12-17)14-32-18-8-10-19(11-9-18)33(30,31)27-23(22(28)26-29)13-20(23)15-4-2-1-3-5-15/h1-12,20,27,29H,13-14H2,(H,26,28).
What are the key properties of 1-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]sulfonylamino]-N-hydroxy-2-phenylcyclopropane-1-carboxamide?
1-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]sulfonylamino]-N-hydroxy-2-phenylcyclopropane-1-carboxamide has a molecular weight of 507.40 g/mol, XLogP of 4.28, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]sulfonylamino]-N-hydroxy-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 11785461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).