N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,4-difluoro-6-hydroxybenzamide

C18H20F2N2O4S — CID 60599109

IUPACN-[3-(diethylsulfamoyl)-4-methylphenyl]-2,4-difluoro-6-hydroxybenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2c(O)cc(F)cc2F)ccc1C
InChIInChI=1S/C18H20F2N2O4S/c1-4-22(5-2)27(25,26)16-10-13(7-6-11(16)3)21-18(24)17-14(20)8-12(19)9-15(17)23/h6-10,23H,4-5H2,1-3H3,(H,21,24)
InChIKeyUXWHPQODCRPQSG-UHFFFAOYSA-N
MW398.43 g/mol
LogP3.26
Rot. Bonds6

About N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,4-difluoro-6-hydroxybenzamide

N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,4-difluoro-6-hydroxybenzamide (PubChem CID 60599109) has the molecular formula C18H20F2N2O4S and a molecular weight of 398.43 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,4-difluoro-6-hydroxybenzamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-2,4-difluoro-6-hydroxybenzamide
PubChem CID60599109
Molecular FormulaC18H20F2N2O4S
Molecular Weight398.43 g/mol
Exact Mass398.11
IUPAC NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-2,4-difluoro-6-hydroxybenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2c(O)cc(F)cc2F)ccc1C
InChIInChI=1S/C18H20F2N2O4S/c1-4-22(5-2)27(25,26)16-10-13(7-6-11(16)3)21-18(24)17-14(20)8-12(19)9-15(17)23/h6-10,23H,4-5H2,1-3H3,(H,21,24)
InChIKeyUXWHPQODCRPQSG-UHFFFAOYSA-N
XLogP3.26
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,5-dimethylbenzamide
CID 7929076
4-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamoyl]benzoic acid
CID 45337189
N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(trifluoromethyl)benzamide
CID 7688995
N-[4-(ethylsulfonylamino)phenyl]-2,4-difluoro-6-hydroxybenzamide
CID 86861751
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,5-dimethylfuran-3-carboxamide
CID 26521292
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-methylsulfanylbenzamide
CID 26521121
N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 18230489
2-amino-N-[3-(diethylsulfamoyl)-4-methylphenyl]benzamide
CID 119943661
1-tert-butyl-3-[3-(diethylsulfamoyl)-4-methylphenyl]urea
CID 8002731
N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 26759612
N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(difluoromethoxy)benzamide
CID 26521263
N-[3-(diethylsulfamoyl)-4-methylphenyl]naphthalene-2-carboxamide
CID 18285223

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,4-difluoro-6-hydroxybenzamide?
The IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,4-difluoro-6-hydroxybenzamide (CID 60599109) is N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,4-difluoro-6-hydroxybenzamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,4-difluoro-6-hydroxybenzamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,4-difluoro-6-hydroxybenzamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)c2c(O)cc(F)cc2F)ccc1C.
What is the InChIKey of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,4-difluoro-6-hydroxybenzamide?
The InChIKey is UXWHPQODCRPQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O4S/c1-4-22(5-2)27(25,26)16-10-13(7-6-11(16)3)21-18(24)17-14(20)8-12(19)9-15(17)23/h6-10,23H,4-5H2,1-3H3,(H,21,24).
What are the key properties of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,4-difluoro-6-hydroxybenzamide?
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,4-difluoro-6-hydroxybenzamide has a molecular weight of 398.43 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,4-difluoro-6-hydroxybenzamide is sourced from PubChem (CID 60599109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).