5-bromo-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-methoxybenzamide

C20H19BrN4O6S — CID 17094227

IUPAC5-bromo-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-methoxybenzamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cc(Br)ccc3OC)cc2)nc(OC)n1
InChIInChI=1S/C20H19BrN4O6S/c1-29-16-9-4-12(21)10-15(16)19(26)22-13-5-7-14(8-6-13)32(27,28)25-17-11-18(30-2)24-20(23-17)31-3/h4-11H,1-3H3,(H,22,26)(H,23,24,25)
InChIKeyKNHLSCFTNXUPDN-UHFFFAOYSA-N
MW523.37 g/mol
LogP3.32
Rot. Bonds8

About 5-bromo-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-methoxybenzamide

5-bromo-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-methoxybenzamide (PubChem CID 17094227) has the molecular formula C20H19BrN4O6S and a molecular weight of 523.37 g/mol. Its IUPAC name is 5-bromo-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-methoxybenzamide
PubChem CID17094227
Molecular FormulaC20H19BrN4O6S
Molecular Weight523.37 g/mol
Exact Mass522.02
IUPAC Name5-bromo-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-methoxybenzamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cc(Br)ccc3OC)cc2)nc(OC)n1
InChIInChI=1S/C20H19BrN4O6S/c1-29-16-9-4-12(21)10-15(16)19(26)22-13-5-7-14(8-6-13)32(27,28)25-17-11-18(30-2)24-20(23-17)31-3/h4-11H,1-3H3,(H,22,26)(H,23,24,25)
InChIKeyKNHLSCFTNXUPDN-UHFFFAOYSA-N
XLogP3.32
TPSA128.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.37
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-bromo-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-methoxynaphthalene-2-carboxamide
CID 25047643
3-bromo-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
CID 3635765
5-bromo-2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 17094200
5-bromo-2-methoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
CID 17094246
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
CID 1076758
5-bromo-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-methoxybenzamide
CID 17094210
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2,2-dimethylpropanamide
CID 1040326
2,6-dichloro-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
CID 1322982
5-bromo-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-methoxybenzamide
CID 17094248
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-1-ethyl-5-methylpyrazole-4-carboxamide
CID 19280722
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-methoxybenzamide
CID 3643787
3-bromo-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-4-propan-2-yloxybenzamide
CID 17355728

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-methoxybenzamide?
The IUPAC name of 5-bromo-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-methoxybenzamide (CID 17094227) is 5-bromo-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-methoxybenzamide.
What is the SMILES notation for 5-bromo-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-methoxybenzamide?
The canonical SMILES for 5-bromo-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-methoxybenzamide is COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cc(Br)ccc3OC)cc2)nc(OC)n1.
What is the InChIKey of 5-bromo-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-methoxybenzamide?
The InChIKey is KNHLSCFTNXUPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN4O6S/c1-29-16-9-4-12(21)10-15(16)19(26)22-13-5-7-14(8-6-13)32(27,28)25-17-11-18(30-2)24-20(23-17)31-3/h4-11H,1-3H3,(H,22,26)(H,23,24,25).
What are the key properties of 5-bromo-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-methoxybenzamide?
5-bromo-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-methoxybenzamide has a molecular weight of 523.37 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-methoxybenzamide is sourced from PubChem (CID 17094227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).