4-chloro-3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-methyl-1H-pyrazol-3-yl)benzamide

C19H18Cl2N4O5S — CID 55867170

IUPAC4-chloro-3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-methyl-1H-pyrazol-3-yl)benzamide
SMILESCOc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)Nc3cc(C)[nH]n3)ccc2Cl)cc1Cl
InChIInChI=1S/C19H18Cl2N4O5S/c1-10-6-18(24-23-10)22-19(26)11-4-5-12(20)17(7-11)31(27,28)25-14-8-13(21)15(29-2)9-16(14)30-3/h4-9,25H,1-3H3,(H2,22,23,24,26)
InChIKeyMKUNDLDFMBMLRT-UHFFFAOYSA-N
MW485.35 g/mol
LogP4.10
Rot. Bonds7

About 4-chloro-3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-methyl-1H-pyrazol-3-yl)benzamide

4-chloro-3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-methyl-1H-pyrazol-3-yl)benzamide (PubChem CID 55867170) has the molecular formula C19H18Cl2N4O5S and a molecular weight of 485.35 g/mol. Its IUPAC name is 4-chloro-3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-methyl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-chloro-3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-methyl-1H-pyrazol-3-yl)benzamide
PubChem CID55867170
Molecular FormulaC19H18Cl2N4O5S
Molecular Weight485.35 g/mol
Exact Mass484.04
IUPAC Name4-chloro-3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-methyl-1H-pyrazol-3-yl)benzamide
SMILESCOc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)Nc3cc(C)[nH]n3)ccc2Cl)cc1Cl
InChIInChI=1S/C19H18Cl2N4O5S/c1-10-6-18(24-23-10)22-19(26)11-4-5-12(20)17(7-11)31(27,28)25-14-8-13(21)15(29-2)9-16(14)30-3/h4-9,25H,1-3H3,(H2,22,23,24,26)
InChIKeyMKUNDLDFMBMLRT-UHFFFAOYSA-N
XLogP4.10
TPSA122.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.35
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide
CID 27257291
3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-fluoro-2-methylphenyl)-4-methylbenzamide
CID 2085572
4-chloro-N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 46525468
4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 134025456
4-chloro-N-(3-chloro-2-methylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26589777
2-chloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide
CID 16573409
4-chloro-3-(3-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 60518959
3-chloro-4-hydroxy-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 55031730
4-chloro-N-(2,4-dimethylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538705
4-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 26210559
3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methyl-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
CID 55948650
[2-(3,4-dimethylphenyl)-2-oxoethyl] 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methylbenzoate
CID 25037645

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-methyl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 4-chloro-3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-methyl-1H-pyrazol-3-yl)benzamide (CID 55867170) is 4-chloro-3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-methyl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 4-chloro-3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-methyl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 4-chloro-3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-methyl-1H-pyrazol-3-yl)benzamide is COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)Nc3cc(C)[nH]n3)ccc2Cl)cc1Cl.
What is the InChIKey of 4-chloro-3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-methyl-1H-pyrazol-3-yl)benzamide?
The InChIKey is MKUNDLDFMBMLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N4O5S/c1-10-6-18(24-23-10)22-19(26)11-4-5-12(20)17(7-11)31(27,28)25-14-8-13(21)15(29-2)9-16(14)30-3/h4-9,25H,1-3H3,(H2,22,23,24,26).
What are the key properties of 4-chloro-3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-methyl-1H-pyrazol-3-yl)benzamide?
4-chloro-3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-methyl-1H-pyrazol-3-yl)benzamide has a molecular weight of 485.35 g/mol, XLogP of 4.10, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-methyl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 55867170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).