4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide

C25H24N4O3S — CID 55702862

IUPAC4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NCc3ccc(-n4cccn4)cc3)cc2)c1
InChIInChI=1S/C25H24N4O3S/c1-18-4-5-19(2)24(16-18)33(31,32)28-22-10-8-21(9-11-22)25(30)26-17-20-6-12-23(13-7-20)29-15-3-14-27-29/h3-16,28H,17H2,1-2H3,(H,26,30)
InChIKeyGLSFNYJYHJYDDK-UHFFFAOYSA-N
MW460.56 g/mol
LogP4.22
Rot. Bonds7

About 4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide

4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide (PubChem CID 55702862) has the molecular formula C25H24N4O3S and a molecular weight of 460.56 g/mol. Its IUPAC name is 4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
PubChem CID55702862
Molecular FormulaC25H24N4O3S
Molecular Weight460.56 g/mol
Exact Mass460.16
IUPAC Name4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NCc3ccc(-n4cccn4)cc3)cc2)c1
InChIInChI=1S/C25H24N4O3S/c1-18-4-5-19(2)24(16-18)33(31,32)28-22-10-8-21(9-11-22)25(30)26-17-20-6-12-23(13-7-20)29-15-3-14-27-29/h3-16,28H,17H2,1-2H3,(H,26,30)
InChIKeyGLSFNYJYHJYDDK-UHFFFAOYSA-N
XLogP4.22
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]benzamide
CID 4238415
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 126415658
4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 46462488
4-[(2,5-dimethylphenyl)sulfonylamino]-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide
CID 55844031
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 26447378
N-benzyl-4-methyl-3-(phenylsulfamoyl)benzamide
CID 126384888
2,3-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]quinoxaline-6-carboxamide
CID 55703032
N-[(4-fluorophenyl)methyl]-4-methyl-3-(phenylsulfamoyl)benzamide
CID 46764508
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2634660
4-[(2,5-dimethylphenyl)sulfonylamino]-N-naphthalen-1-ylbenzamide
CID 2353142
4-chloro-3-iodo-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 55711340
4-(cyclopropylcarbamoylamino)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 55838098

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide?
The IUPAC name of 4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide (CID 55702862) is 4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide.
What is the SMILES notation for 4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide?
The canonical SMILES for 4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide is Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NCc3ccc(-n4cccn4)cc3)cc2)c1.
What is the InChIKey of 4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide?
The InChIKey is GLSFNYJYHJYDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3S/c1-18-4-5-19(2)24(16-18)33(31,32)28-22-10-8-21(9-11-22)25(30)26-17-20-6-12-23(13-7-20)29-15-3-14-27-29/h3-16,28H,17H2,1-2H3,(H,26,30).
What are the key properties of 4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide?
4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide has a molecular weight of 460.56 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide is sourced from PubChem (CID 55702862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).