N-[2,3-dichloro-4-(2-hydroxyethylsulfamoyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide

C12H13Cl2F3N2O5S — CID 18546997

IUPACN-[2,3-dichloro-4-(2-hydroxyethylsulfamoyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
SMILESCC(O)(C(=O)Nc1ccc(S(=O)(=O)NCCO)c(Cl)c1Cl)C(F)(F)F
InChIInChI=1S/C12H13Cl2F3N2O5S/c1-11(22,12(15,16)17)10(21)19-6-2-3-7(9(14)8(6)13)25(23,24)18-4-5-20/h2-3,18,20,22H,4-5H2,1H3,(H,19,21)
InChIKeyYYIWRUQKWHPWPS-UHFFFAOYSA-N
MW425.21 g/mol
LogP1.52
Rot. Bonds6

About N-[2,3-dichloro-4-(2-hydroxyethylsulfamoyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide

N-[2,3-dichloro-4-(2-hydroxyethylsulfamoyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide (PubChem CID 18546997) has the molecular formula C12H13Cl2F3N2O5S and a molecular weight of 425.21 g/mol. Its IUPAC name is N-[2,3-dichloro-4-(2-hydroxyethylsulfamoyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[2,3-dichloro-4-(2-hydroxyethylsulfamoyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
PubChem CID18546997
Molecular FormulaC12H13Cl2F3N2O5S
Molecular Weight425.21 g/mol
Exact Mass423.99
IUPAC NameN-[2,3-dichloro-4-(2-hydroxyethylsulfamoyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
SMILESCC(O)(C(=O)Nc1ccc(S(=O)(=O)NCCO)c(Cl)c1Cl)C(F)(F)F
InChIInChI=1S/C12H13Cl2F3N2O5S/c1-11(22,12(15,16)17)10(21)19-6-2-3-7(9(14)8(6)13)25(23,24)18-4-5-20/h2-3,18,20,22H,4-5H2,1H3,(H,19,21)
InChIKeyYYIWRUQKWHPWPS-UHFFFAOYSA-N
XLogP1.52
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.21
LogP ≤ 51.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2,3-dichloro-4-(2-hydroxyethylsulfamoyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The IUPAC name of N-[2,3-dichloro-4-(2-hydroxyethylsulfamoyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide (CID 18546997) is N-[2,3-dichloro-4-(2-hydroxyethylsulfamoyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-[2,3-dichloro-4-(2-hydroxyethylsulfamoyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The canonical SMILES for N-[2,3-dichloro-4-(2-hydroxyethylsulfamoyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide is CC(O)(C(=O)Nc1ccc(S(=O)(=O)NCCO)c(Cl)c1Cl)C(F)(F)F.
What is the InChIKey of N-[2,3-dichloro-4-(2-hydroxyethylsulfamoyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The InChIKey is YYIWRUQKWHPWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2F3N2O5S/c1-11(22,12(15,16)17)10(21)19-6-2-3-7(9(14)8(6)13)25(23,24)18-4-5-20/h2-3,18,20,22H,4-5H2,1H3,(H,19,21).
What are the key properties of N-[2,3-dichloro-4-(2-hydroxyethylsulfamoyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
N-[2,3-dichloro-4-(2-hydroxyethylsulfamoyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide has a molecular weight of 425.21 g/mol, XLogP of 1.52, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dichloro-4-(2-hydroxyethylsulfamoyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 18546997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).