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

C21H17ClF2N2O4S — CID 146545872

IUPAC3-chloro-5-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxy-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cc(Cl)c(O)c(S(=O)(=O)Nc2cc(-c3ccccc3)c(F)cc2F)c1
InChIInChI=1S/C21H17ClF2N2O4S/c1-26(2)21(28)13-8-15(22)20(27)19(9-13)31(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
InChIKeyUQVASCKBVZTQIO-UHFFFAOYSA-N
MW466.89 g/mol
LogP4.49
Rot. Bonds5

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

3-chloro-5-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxy-N,N-dimethylbenzamide (PubChem CID 146545872) has the molecular formula C21H17ClF2N2O4S and a molecular weight of 466.89 g/mol. Its IUPAC name is 3-chloro-5-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxy-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-chloro-5-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxy-N,N-dimethylbenzamide
PubChem CID146545872
Molecular FormulaC21H17ClF2N2O4S
Molecular Weight466.89 g/mol
Exact Mass466.06
IUPAC Name3-chloro-5-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxy-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cc(Cl)c(O)c(S(=O)(=O)Nc2cc(-c3ccccc3)c(F)cc2F)c1
InChIInChI=1S/C21H17ClF2N2O4S/c1-26(2)21(28)13-8-15(22)20(27)19(9-13)31(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
InChIKeyUQVASCKBVZTQIO-UHFFFAOYSA-N
XLogP4.49
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.89
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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,N-dimethylbenzamide?
The IUPAC name of 3-chloro-5-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxy-N,N-dimethylbenzamide (CID 146545872) is 3-chloro-5-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxy-N,N-dimethylbenzamide.
What is the SMILES notation for 3-chloro-5-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxy-N,N-dimethylbenzamide?
The canonical SMILES for 3-chloro-5-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxy-N,N-dimethylbenzamide is CN(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,N-dimethylbenzamide?
The InChIKey is UQVASCKBVZTQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF2N2O4S/c1-26(2)21(28)13-8-15(22)20(27)19(9-13)31(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,N-dimethylbenzamide?
3-chloro-5-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxy-N,N-dimethylbenzamide has a molecular weight of 466.89 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxy-N,N-dimethylbenzamide is sourced from PubChem (CID 146545872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).