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

C22H23ClN4O5S — CID 55948650

IUPAC3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methyl-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
SMILESCOc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)NCc3ccnc(C)n3)ccc2C)cc1Cl
InChIInChI=1S/C22H23ClN4O5S/c1-13-5-6-15(22(28)25-12-16-7-8-24-14(2)26-16)9-21(13)33(29,30)27-18-10-17(23)19(31-3)11-20(18)32-4/h5-11,27H,12H2,1-4H3,(H,25,28)
InChIKeyKVYDSAXZRAXGHQ-UHFFFAOYSA-N
MW490.97 g/mol
LogP3.49
Rot. Bonds8

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

3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methyl-N-[(2-methylpyrimidin-4-yl)methyl]benzamide (PubChem CID 55948650) has the molecular formula C22H23ClN4O5S and a molecular weight of 490.97 g/mol. Its IUPAC name is 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methyl-N-[(2-methylpyrimidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methyl-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
PubChem CID55948650
Molecular FormulaC22H23ClN4O5S
Molecular Weight490.97 g/mol
Exact Mass490.11
IUPAC Name3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methyl-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
SMILESCOc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)NCc3ccnc(C)n3)ccc2C)cc1Cl
InChIInChI=1S/C22H23ClN4O5S/c1-13-5-6-15(22(28)25-12-16-7-8-24-14(2)26-16)9-21(13)33(29,30)27-18-10-17(23)19(31-3)11-20(18)32-4/h5-11,27H,12H2,1-4H3,(H,25,28)
InChIKeyKVYDSAXZRAXGHQ-UHFFFAOYSA-N
XLogP3.49
TPSA119.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.97
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methyl-N-(3-pyrazol-1-ylpropyl)benzamide
CID 55596967
3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-fluoro-2-methylphenyl)-4-methylbenzamide
CID 2085572
[2-(3,4-dimethylphenyl)-2-oxoethyl] 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methylbenzoate
CID 25037645
[2-(4-methoxyphenyl)-2-oxoethyl] 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methylbenzoate
CID 25046576
N-[(2-chlorophenyl)methyl]-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2612888
3-[(5-tert-butyl-2-methylphenyl)sulfonylamino]-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
CID 55947245
4-chloro-3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide
CID 27257291
5-tert-butyl-N-(5-chloro-2,4-dimethoxyphenyl)-2-methylbenzenesulfonamide
CID 7938313
3-bromo-4-methyl-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
CID 79467462
4-chloro-3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 55867170
2,6-dichloro-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-4-carboxamide
CID 61053110
3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 25409088

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methyl-N-[(2-methylpyrimidin-4-yl)methyl]benzamide?
The IUPAC name of 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methyl-N-[(2-methylpyrimidin-4-yl)methyl]benzamide (CID 55948650) is 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methyl-N-[(2-methylpyrimidin-4-yl)methyl]benzamide.
What is the SMILES notation for 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methyl-N-[(2-methylpyrimidin-4-yl)methyl]benzamide?
The canonical SMILES for 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methyl-N-[(2-methylpyrimidin-4-yl)methyl]benzamide is COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)NCc3ccnc(C)n3)ccc2C)cc1Cl.
What is the InChIKey of 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methyl-N-[(2-methylpyrimidin-4-yl)methyl]benzamide?
The InChIKey is KVYDSAXZRAXGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O5S/c1-13-5-6-15(22(28)25-12-16-7-8-24-14(2)26-16)9-21(13)33(29,30)27-18-10-17(23)19(31-3)11-20(18)32-4/h5-11,27H,12H2,1-4H3,(H,25,28).
What are the key properties of 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methyl-N-[(2-methylpyrimidin-4-yl)methyl]benzamide?
3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methyl-N-[(2-methylpyrimidin-4-yl)methyl]benzamide has a molecular weight of 490.97 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-4-methyl-N-[(2-methylpyrimidin-4-yl)methyl]benzamide is sourced from PubChem (CID 55948650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).