4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]benzamide

C22H21FN2O3S — CID 4238415

IUPAC4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]benzamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NCc3ccc(F)cc3)cc2)c1
InChIInChI=1S/C22H21FN2O3S/c1-15-3-4-16(2)21(13-15)29(27,28)25-20-11-7-18(8-12-20)22(26)24-14-17-5-9-19(23)10-6-17/h3-13,25H,14H2,1-2H3,(H,24,26)
InChIKeyAYYRPBFHNMMXBH-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.17
Rot. Bonds6

About 4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]benzamide

4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]benzamide (PubChem CID 4238415) has the molecular formula C22H21FN2O3S and a molecular weight of 412.49 g/mol. Its IUPAC name is 4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]benzamide
PubChem CID4238415
Molecular FormulaC22H21FN2O3S
Molecular Weight412.49 g/mol
Exact Mass412.13
IUPAC Name4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]benzamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NCc3ccc(F)cc3)cc2)c1
InChIInChI=1S/C22H21FN2O3S/c1-15-3-4-16(2)21(13-15)29(27,28)25-20-11-7-18(8-12-20)22(26)24-14-17-5-9-19(23)10-6-17/h3-13,25H,14H2,1-2H3,(H,24,26)
InChIKeyAYYRPBFHNMMXBH-UHFFFAOYSA-N
XLogP4.17
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-4-methyl-3-(phenylsulfamoyl)benzamide
CID 46764508
4-[(4-fluorophenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]benzamide
CID 26850932
4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 55702862
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 126415658
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 26447378
4-[(2,5-dimethylphenyl)sulfonylamino]-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide
CID 55844031
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2634660
N-benzyl-4-methyl-3-(phenylsulfamoyl)benzamide
CID 126384888
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 9473851
4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 46462488
2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 112992587
4-[(3,4-difluorophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide
CID 2569077

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]benzamide?
The IUPAC name of 4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]benzamide (CID 4238415) is 4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]benzamide?
The canonical SMILES for 4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]benzamide is Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NCc3ccc(F)cc3)cc2)c1.
What is the InChIKey of 4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]benzamide?
The InChIKey is AYYRPBFHNMMXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O3S/c1-15-3-4-16(2)21(13-15)29(27,28)25-20-11-7-18(8-12-20)22(26)24-14-17-5-9-19(23)10-6-17/h3-13,25H,14H2,1-2H3,(H,24,26).
What are the key properties of 4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]benzamide?
4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]benzamide has a molecular weight of 412.49 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 4238415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).