3-bromo-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide

C19H17BrN4O5S — CID 3635765

IUPAC3-bromo-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)nc(OC)n1
InChIInChI=1S/C19H17BrN4O5S/c1-28-17-11-16(22-19(23-17)29-2)24-30(26,27)15-8-6-14(7-9-15)21-18(25)12-4-3-5-13(20)10-12/h3-11H,1-2H3,(H,21,25)(H,22,23,24)
InChIKeyLXNQWPTZLNZNOH-UHFFFAOYSA-N
MW493.34 g/mol
LogP3.31
Rot. Bonds7

About 3-bromo-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide

3-bromo-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide (PubChem CID 3635765) has the molecular formula C19H17BrN4O5S and a molecular weight of 493.34 g/mol. Its IUPAC name is 3-bromo-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
PubChem CID3635765
Molecular FormulaC19H17BrN4O5S
Molecular Weight493.34 g/mol
Exact Mass492.01
IUPAC Name3-bromo-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)nc(OC)n1
InChIInChI=1S/C19H17BrN4O5S/c1-28-17-11-16(22-19(23-17)29-2)24-30(26,27)15-8-6-14(7-9-15)21-18(25)12-4-3-5-13(20)10-12/h3-11H,1-2H3,(H,21,25)(H,22,23,24)
InChIKeyLXNQWPTZLNZNOH-UHFFFAOYSA-N
XLogP3.31
TPSA119.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.34
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-methoxybenzamide
CID 3643787
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
CID 1076758
5-bromo-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-methoxybenzamide
CID 17094227
3-bromo-N-(2,6-dimethoxypyrimidin-4-yl)benzamide
CID 698520
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-4-ethoxybenzamide
CID 1381291
2,6-dichloro-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
CID 1322982
4-butoxy-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
CID 4936152
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-methoxynaphthalene-2-carboxamide
CID 25047643
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2,2-dimethylpropanamide
CID 1040326
3-bromo-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-4-propan-2-yloxybenzamide
CID 17355728
1-(3,4-dichlorophenyl)-3-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]urea
CID 2206595
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-1-ethyl-5-methylpyrazole-4-carboxamide
CID 19280722

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 3-bromo-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide (CID 3635765) is 3-bromo-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 3-bromo-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 3-bromo-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide is COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)nc(OC)n1.
What is the InChIKey of 3-bromo-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide?
The InChIKey is LXNQWPTZLNZNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4O5S/c1-28-17-11-16(22-19(23-17)29-2)24-30(26,27)15-8-6-14(7-9-15)21-18(25)12-4-3-5-13(20)10-12/h3-11H,1-2H3,(H,21,25)(H,22,23,24).
What are the key properties of 3-bromo-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide?
3-bromo-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide has a molecular weight of 493.34 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 3635765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).