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

C22H19ClF2N2O4S — CID 146601347

IUPAC3-chloro-5-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxy-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cc(Cl)c(O)c(S(=O)(=O)Nc2cc(-c3ccccc3)c(F)cc2F)c1
InChIInChI=1S/C22H19ClF2N2O4S/c1-12(2)26-22(29)14-8-16(23)21(28)20(9-14)32(30,31)27-19-10-15(17(24)11-18(19)25)13-6-4-3-5-7-13/h3-12,27-28H,1-2H3,(H,26,29)
InChIKeyYADPZHZIDZCXAN-UHFFFAOYSA-N
MW480.92 g/mol
LogP4.93
Rot. Bonds6

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

3-chloro-5-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxy-N-propan-2-ylbenzamide (PubChem CID 146601347) has the molecular formula C22H19ClF2N2O4S and a molecular weight of 480.92 g/mol. Its IUPAC name is 3-chloro-5-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxy-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-chloro-5-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxy-N-propan-2-ylbenzamide
PubChem CID146601347
Molecular FormulaC22H19ClF2N2O4S
Molecular Weight480.92 g/mol
Exact Mass480.07
IUPAC Name3-chloro-5-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxy-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cc(Cl)c(O)c(S(=O)(=O)Nc2cc(-c3ccccc3)c(F)cc2F)c1
InChIInChI=1S/C22H19ClF2N2O4S/c1-12(2)26-22(29)14-8-16(23)21(28)20(9-14)32(30,31)27-19-10-15(17(24)11-18(19)25)13-6-4-3-5-7-13/h3-12,27-28H,1-2H3,(H,26,29)
InChIKeyYADPZHZIDZCXAN-UHFFFAOYSA-N
XLogP4.93
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.92
LogP ≤ 54.93
H-Bond Donors ≤ 53
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-propan-2-ylbenzamide?
The IUPAC name of 3-chloro-5-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxy-N-propan-2-ylbenzamide (CID 146601347) is 3-chloro-5-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxy-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-chloro-5-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxy-N-propan-2-ylbenzamide?
The canonical SMILES for 3-chloro-5-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxy-N-propan-2-ylbenzamide is CC(C)NC(=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-propan-2-ylbenzamide?
The InChIKey is YADPZHZIDZCXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF2N2O4S/c1-12(2)26-22(29)14-8-16(23)21(28)20(9-14)32(30,31)27-19-10-15(17(24)11-18(19)25)13-6-4-3-5-7-13/h3-12,27-28H,1-2H3,(H,26,29).
What are the key properties of 3-chloro-5-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxy-N-propan-2-ylbenzamide?
3-chloro-5-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxy-N-propan-2-ylbenzamide has a molecular weight of 480.92 g/mol, XLogP of 4.93, 6 rotatable bonds, 3 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-propan-2-ylbenzamide is sourced from PubChem (CID 146601347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).