4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(3-fluoro-4-methylphenyl)benzamide

C23H21FN2O4S — CID 34228029

IUPAC4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(3-fluoro-4-methylphenyl)benzamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3ccc(C)c(F)c3)cc2)cc1
InChIInChI=1S/C23H21FN2O4S/c1-15-3-10-20(13-22(15)24)26-23(28)19-6-4-17(5-7-19)14-25-31(29,30)21-11-8-18(9-12-21)16(2)27/h3-13,25H,14H2,1-2H3,(H,26,28)
InChIKeyUKYVDRNPKYMLMK-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.07
Rot. Bonds7

About 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(3-fluoro-4-methylphenyl)benzamide

4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(3-fluoro-4-methylphenyl)benzamide (PubChem CID 34228029) has the molecular formula C23H21FN2O4S and a molecular weight of 440.50 g/mol. Its IUPAC name is 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(3-fluoro-4-methylphenyl)benzamide.

Molecular Properties

Compound Name4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(3-fluoro-4-methylphenyl)benzamide
PubChem CID34228029
Molecular FormulaC23H21FN2O4S
Molecular Weight440.50 g/mol
Exact Mass440.12
IUPAC Name4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(3-fluoro-4-methylphenyl)benzamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3ccc(C)c(F)c3)cc2)cc1
InChIInChI=1S/C23H21FN2O4S/c1-15-3-10-20(13-22(15)24)26-23(28)19-6-4-17(5-7-19)14-25-31(29,30)21-11-8-18(9-12-21)16(2)27/h3-13,25H,14H2,1-2H3,(H,26,28)
InChIKeyUKYVDRNPKYMLMK-UHFFFAOYSA-N
XLogP4.07
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluoro-4-methylphenyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 33314755
N-(3-fluoro-4-methylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 17455377
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(4-bromophenyl)benzamide
CID 29371083
4-(benzylsulfamoyl)-N-(3,4-dimethylphenyl)benzamide
CID 109060594
1-N,4-N-bis[4-(benzylsulfamoyl)phenyl]benzene-1,4-dicarboxamide
CID 4929117
N-(3,4-dimethylphenyl)-4-(ethylsulfamoyl)benzamide
CID 9416096
4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[(2,4-dimethylphenyl)methyl]benzamide
CID 55595158
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(8-methylquinolin-5-yl)benzamide
CID 38267137
N-(3,4-difluorophenyl)-4-[2-(dimethylamino)ethylsulfamoyl]benzamide
CID 109060210
N-(3,4-difluorophenyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 33314597
N-(3-fluoro-4-methylphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 9427533
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 55965254

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(3-fluoro-4-methylphenyl)benzamide?
The IUPAC name of 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(3-fluoro-4-methylphenyl)benzamide (CID 34228029) is 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(3-fluoro-4-methylphenyl)benzamide.
What is the SMILES notation for 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(3-fluoro-4-methylphenyl)benzamide?
The canonical SMILES for 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(3-fluoro-4-methylphenyl)benzamide is CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3ccc(C)c(F)c3)cc2)cc1.
What is the InChIKey of 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(3-fluoro-4-methylphenyl)benzamide?
The InChIKey is UKYVDRNPKYMLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O4S/c1-15-3-10-20(13-22(15)24)26-23(28)19-6-4-17(5-7-19)14-25-31(29,30)21-11-8-18(9-12-21)16(2)27/h3-13,25H,14H2,1-2H3,(H,26,28).
What are the key properties of 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(3-fluoro-4-methylphenyl)benzamide?
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(3-fluoro-4-methylphenyl)benzamide has a molecular weight of 440.50 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(3-fluoro-4-methylphenyl)benzamide is sourced from PubChem (CID 34228029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).