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

C19H16Cl2N4O5S — CID 1322982

IUPAC2,6-dichloro-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)nc(OC)n1
InChIInChI=1S/C19H16Cl2N4O5S/c1-29-16-10-15(23-19(24-16)30-2)25-31(27,28)12-8-6-11(7-9-12)22-18(26)17-13(20)4-3-5-14(17)21/h3-10H,1-2H3,(H,22,26)(H,23,24,25)
InChIKeyCSAGEYUGTQGTSP-UHFFFAOYSA-N
MW483.33 g/mol
LogP3.85
Rot. Bonds7

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

2,6-dichloro-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide (PubChem CID 1322982) has the molecular formula C19H16Cl2N4O5S and a molecular weight of 483.33 g/mol. Its IUPAC name is 2,6-dichloro-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
PubChem CID1322982
Molecular FormulaC19H16Cl2N4O5S
Molecular Weight483.33 g/mol
Exact Mass482.02
IUPAC Name2,6-dichloro-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)nc(OC)n1
InChIInChI=1S/C19H16Cl2N4O5S/c1-29-16-10-15(23-19(24-16)30-2)25-31(27,28)12-8-6-11(7-9-12)22-18(26)17-13(20)4-3-5-14(17)21/h3-10H,1-2H3,(H,22,26)(H,23,24,25)
InChIKeyCSAGEYUGTQGTSP-UHFFFAOYSA-N
XLogP3.85
TPSA119.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.33
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
CID 1076758
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]-3-methoxybenzamide
CID 3643787
3-bromo-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
CID 3635765
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
2,4-dichloro-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]benzamide
CID 3520706
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-4-ethoxybenzamide
CID 1381291
5-bromo-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-methoxybenzamide
CID 17094227
(Z)-2-chloro-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-phenylprop-2-enamide
CID 6301502
1-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-pyridin-4-ylthiourea
CID 134129947
1-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-(4-fluorophenyl)thiourea
CID 4985480

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide (CID 1322982) is 2,6-dichloro-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide is COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)nc(OC)n1.
What is the InChIKey of 2,6-dichloro-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide?
The InChIKey is CSAGEYUGTQGTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O5S/c1-29-16-10-15(23-19(24-16)30-2)25-31(27,28)12-8-6-11(7-9-12)22-18(26)17-13(20)4-3-5-14(17)21/h3-10H,1-2H3,(H,22,26)(H,23,24,25).
What are the key properties of 2,6-dichloro-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide?
2,6-dichloro-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide has a molecular weight of 483.33 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 1322982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).