4-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-fluoro-5-methylphenyl)benzamide

C22H21FN2O3S — CID 26684839

IUPAC4-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-fluoro-5-methylphenyl)benzamide
SMILESCc1ccc(F)c(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2)c1
InChIInChI=1S/C22H21FN2O3S/c1-14-4-11-20(23)21(12-14)24-22(26)17-6-8-18(9-7-17)25-29(27,28)19-10-5-15(2)16(3)13-19/h4-13,25H,1-3H3,(H,24,26)
InChIKeySXDNKDZHPUVJKY-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.80
Rot. Bonds5

About 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-fluoro-5-methylphenyl)benzamide

4-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-fluoro-5-methylphenyl)benzamide (PubChem CID 26684839) has the molecular formula C22H21FN2O3S and a molecular weight of 412.49 g/mol. Its IUPAC name is 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-fluoro-5-methylphenyl)benzamide.

Molecular Properties

Compound Name4-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-fluoro-5-methylphenyl)benzamide
PubChem CID26684839
Molecular FormulaC22H21FN2O3S
Molecular Weight412.49 g/mol
Exact Mass412.13
IUPAC Name4-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-fluoro-5-methylphenyl)benzamide
SMILESCc1ccc(F)c(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2)c1
InChIInChI=1S/C22H21FN2O3S/c1-14-4-11-20(23)21(12-14)24-22(26)17-6-8-18(9-7-17)25-29(27,28)19-10-5-15(2)16(3)13-19/h4-13,25H,1-3H3,(H,24,26)
InChIKeySXDNKDZHPUVJKY-UHFFFAOYSA-N
XLogP4.80
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-fluoro-2-methylphenyl)benzamide
CID 26886474
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)benzamide
CID 42053342
4-chloro-N-[4-[(2,5-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18892609
4-[(4-fluorophenyl)sulfamoyl]-N-(2-methoxy-5-methylphenyl)benzamide
CID 26709820
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(4-hydroxyphenyl)benzamide
CID 112771839
N-(2-fluoro-5-methylphenyl)-4-methylbenzamide
CID 7718843
N-(2,4-difluorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 7553514
4-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 55964177
N-(2-chloro-4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 26637724
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(4-methoxyphenyl)benzamide
CID 17391179
4-[(3,4-dimethylphenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide
CID 47835624
4-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-methylbutan-2-yl)benzamide
CID 46651145

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-fluoro-5-methylphenyl)benzamide?
The IUPAC name of 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-fluoro-5-methylphenyl)benzamide (CID 26684839) is 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-fluoro-5-methylphenyl)benzamide.
What is the SMILES notation for 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-fluoro-5-methylphenyl)benzamide?
The canonical SMILES for 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-fluoro-5-methylphenyl)benzamide is Cc1ccc(F)c(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2)c1.
What is the InChIKey of 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-fluoro-5-methylphenyl)benzamide?
The InChIKey is SXDNKDZHPUVJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O3S/c1-14-4-11-20(23)21(12-14)24-22(26)17-6-8-18(9-7-17)25-29(27,28)19-10-5-15(2)16(3)13-19/h4-13,25H,1-3H3,(H,24,26).
What are the key properties of 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-fluoro-5-methylphenyl)benzamide?
4-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-fluoro-5-methylphenyl)benzamide has a molecular weight of 412.49 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-fluoro-5-methylphenyl)benzamide is sourced from PubChem (CID 26684839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).