3-chloro-5-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxy-N-methoxy-N-methylbenzamide

C21H17ClF2N2O5S — CID 146545746

IUPAC3-chloro-5-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxy-N-methoxy-N-methylbenzamide
SMILESCON(C)C(=O)c1cc(Cl)c(O)c(S(=O)(=O)Nc2cc(-c3ccccc3)c(F)cc2F)c1
InChIInChI=1S/C21H17ClF2N2O5S/c1-26(31-2)21(28)13-8-15(22)20(27)19(9-13)32(29,30)25-18-10-14(16(23)11-17(18)24)12-6-4-3-5-7-12/h3-11,25,27H,1-2H3
InChIKeyDUIFQTDOSOONMG-UHFFFAOYSA-N
MW482.89 g/mol
LogP4.43
Rot. Bonds6

About 3-chloro-5-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxy-N-methoxy-N-methylbenzamide

3-chloro-5-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxy-N-methoxy-N-methylbenzamide (PubChem CID 146545746) has the molecular formula C21H17ClF2N2O5S and a molecular weight of 482.89 g/mol. Its IUPAC name is 3-chloro-5-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxy-N-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name3-chloro-5-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxy-N-methoxy-N-methylbenzamide
PubChem CID146545746
Molecular FormulaC21H17ClF2N2O5S
Molecular Weight482.89 g/mol
Exact Mass482.05
IUPAC Name3-chloro-5-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxy-N-methoxy-N-methylbenzamide
SMILESCON(C)C(=O)c1cc(Cl)c(O)c(S(=O)(=O)Nc2cc(-c3ccccc3)c(F)cc2F)c1
InChIInChI=1S/C21H17ClF2N2O5S/c1-26(31-2)21(28)13-8-15(22)20(27)19(9-13)32(29,30)25-18-10-14(16(23)11-17(18)24)12-6-4-3-5-7-12/h3-11,25,27H,1-2H3
InChIKeyDUIFQTDOSOONMG-UHFFFAOYSA-N
XLogP4.43
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.89
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxy-N-methoxy-N-methylbenzamide?
The IUPAC name of 3-chloro-5-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxy-N-methoxy-N-methylbenzamide (CID 146545746) is 3-chloro-5-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxy-N-methoxy-N-methylbenzamide.
What is the SMILES notation for 3-chloro-5-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxy-N-methoxy-N-methylbenzamide?
The canonical SMILES for 3-chloro-5-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxy-N-methoxy-N-methylbenzamide is CON(C)C(=O)c1cc(Cl)c(O)c(S(=O)(=O)Nc2cc(-c3ccccc3)c(F)cc2F)c1.
What is the InChIKey of 3-chloro-5-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxy-N-methoxy-N-methylbenzamide?
The InChIKey is DUIFQTDOSOONMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF2N2O5S/c1-26(31-2)21(28)13-8-15(22)20(27)19(9-13)32(29,30)25-18-10-14(16(23)11-17(18)24)12-6-4-3-5-7-12/h3-11,25,27H,1-2H3.
What are the key properties of 3-chloro-5-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxy-N-methoxy-N-methylbenzamide?
3-chloro-5-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxy-N-methoxy-N-methylbenzamide has a molecular weight of 482.89 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxy-N-methoxy-N-methylbenzamide is sourced from PubChem (CID 146545746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).