2,4-dichloro-5-[(2-methoxyphenyl)methylsulfamoyl]-N-[[2-(1-methylpyrazol-4-yl)phenyl]methyl]benzamide

C26H24Cl2N4O4S — CID 155967693

IUPAC2,4-dichloro-5-[(2-methoxyphenyl)methylsulfamoyl]-N-[[2-(1-methylpyrazol-4-yl)phenyl]methyl]benzamide
SMILESCOc1ccccc1CNS(=O)(=O)c1cc(C(=O)NCc2ccccc2-c2cnn(C)c2)c(Cl)cc1Cl
InChIInChI=1S/C26H24Cl2N4O4S/c1-32-16-19(14-30-32)20-9-5-3-7-17(20)13-29-26(33)21-11-25(23(28)12-22(21)27)37(34,35)31-15-18-8-4-6-10-24(18)36-2/h3-12,14,16,31H,13,15H2,1-2H3,(H,29,33)
InChIKeyCLJAUIVCRWZETJ-UHFFFAOYSA-N
MW559.48 g/mol
LogP4.81
Rot. Bonds9

About 2,4-dichloro-5-[(2-methoxyphenyl)methylsulfamoyl]-N-[[2-(1-methylpyrazol-4-yl)phenyl]methyl]benzamide

2,4-dichloro-5-[(2-methoxyphenyl)methylsulfamoyl]-N-[[2-(1-methylpyrazol-4-yl)phenyl]methyl]benzamide (PubChem CID 155967693) has the molecular formula C26H24Cl2N4O4S and a molecular weight of 559.48 g/mol. Its IUPAC name is 2,4-dichloro-5-[(2-methoxyphenyl)methylsulfamoyl]-N-[[2-(1-methylpyrazol-4-yl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-5-[(2-methoxyphenyl)methylsulfamoyl]-N-[[2-(1-methylpyrazol-4-yl)phenyl]methyl]benzamide
PubChem CID155967693
Molecular FormulaC26H24Cl2N4O4S
Molecular Weight559.48 g/mol
Exact Mass558.09
IUPAC Name2,4-dichloro-5-[(2-methoxyphenyl)methylsulfamoyl]-N-[[2-(1-methylpyrazol-4-yl)phenyl]methyl]benzamide
SMILESCOc1ccccc1CNS(=O)(=O)c1cc(C(=O)NCc2ccccc2-c2cnn(C)c2)c(Cl)cc1Cl
InChIInChI=1S/C26H24Cl2N4O4S/c1-32-16-19(14-30-32)20-9-5-3-7-17(20)13-29-26(33)21-11-25(23(28)12-22(21)27)37(34,35)31-15-18-8-4-6-10-24(18)36-2/h3-12,14,16,31H,13,15H2,1-2H3,(H,29,33)
InChIKeyCLJAUIVCRWZETJ-UHFFFAOYSA-N
XLogP4.81
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.48
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-dichloro-5-[(2-methoxyphenyl)methylsulfamoyl]-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 16285581
2,4-dichloro-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-5-piperidin-1-ylsulfonylbenzamide
CID 19406507
2,4-dichloro-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-5-piperidin-1-ylsulfonylbenzamide
CID 19408606
2,4-dichloro-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-5-piperidin-1-ylsulfonylbenzamide
CID 19410223
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 24609841
2,4-dichloro-5-[2-(4-methoxyphenyl)ethylsulfamoyl]-N-(1-methylpyrazol-3-yl)benzamide
CID 31851271
2-chloro-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393990
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methoxy-5-sulfamoylbenzamide
CID 41516488
3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 55513151
4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 55710626
2-chloro-5-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 56011940
4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-[(2-pyrazol-1-ylphenyl)methyl]benzamide
CID 56158905

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-[(2-methoxyphenyl)methylsulfamoyl]-N-[[2-(1-methylpyrazol-4-yl)phenyl]methyl]benzamide?
The IUPAC name of 2,4-dichloro-5-[(2-methoxyphenyl)methylsulfamoyl]-N-[[2-(1-methylpyrazol-4-yl)phenyl]methyl]benzamide (CID 155967693) is 2,4-dichloro-5-[(2-methoxyphenyl)methylsulfamoyl]-N-[[2-(1-methylpyrazol-4-yl)phenyl]methyl]benzamide.
What is the SMILES notation for 2,4-dichloro-5-[(2-methoxyphenyl)methylsulfamoyl]-N-[[2-(1-methylpyrazol-4-yl)phenyl]methyl]benzamide?
The canonical SMILES for 2,4-dichloro-5-[(2-methoxyphenyl)methylsulfamoyl]-N-[[2-(1-methylpyrazol-4-yl)phenyl]methyl]benzamide is COc1ccccc1CNS(=O)(=O)c1cc(C(=O)NCc2ccccc2-c2cnn(C)c2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-[(2-methoxyphenyl)methylsulfamoyl]-N-[[2-(1-methylpyrazol-4-yl)phenyl]methyl]benzamide?
The InChIKey is CLJAUIVCRWZETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24Cl2N4O4S/c1-32-16-19(14-30-32)20-9-5-3-7-17(20)13-29-26(33)21-11-25(23(28)12-22(21)27)37(34,35)31-15-18-8-4-6-10-24(18)36-2/h3-12,14,16,31H,13,15H2,1-2H3,(H,29,33).
What are the key properties of 2,4-dichloro-5-[(2-methoxyphenyl)methylsulfamoyl]-N-[[2-(1-methylpyrazol-4-yl)phenyl]methyl]benzamide?
2,4-dichloro-5-[(2-methoxyphenyl)methylsulfamoyl]-N-[[2-(1-methylpyrazol-4-yl)phenyl]methyl]benzamide has a molecular weight of 559.48 g/mol, XLogP of 4.81, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-[(2-methoxyphenyl)methylsulfamoyl]-N-[[2-(1-methylpyrazol-4-yl)phenyl]methyl]benzamide is sourced from PubChem (CID 155967693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).