3,5-dichloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-methoxybenzamide

C20H18Cl2N4O4S — CID 2206745

IUPAC3,5-dichloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-methoxybenzamide
SMILESCOc1c(Cl)cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)cc1Cl
InChIInChI=1S/C20H18Cl2N4O4S/c1-11-8-18(24-12(2)23-11)26-31(28,29)15-6-4-14(5-7-15)25-20(27)13-9-16(21)19(30-3)17(22)10-13/h4-10H,1-3H3,(H,25,27)(H,23,24,26)
InChIKeyQDBOVXLEPGCIMU-UHFFFAOYSA-N
MW481.36 g/mol
LogP4.46
Rot. Bonds6

About 3,5-dichloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-methoxybenzamide

3,5-dichloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-methoxybenzamide (PubChem CID 2206745) has the molecular formula C20H18Cl2N4O4S and a molecular weight of 481.36 g/mol. Its IUPAC name is 3,5-dichloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-methoxybenzamide
PubChem CID2206745
Molecular FormulaC20H18Cl2N4O4S
Molecular Weight481.36 g/mol
Exact Mass480.04
IUPAC Name3,5-dichloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-methoxybenzamide
SMILESCOc1c(Cl)cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)cc1Cl
InChIInChI=1S/C20H18Cl2N4O4S/c1-11-8-18(24-12(2)23-11)26-31(28,29)15-6-4-14(5-7-15)25-20(27)13-9-16(21)19(30-3)17(22)10-13/h4-10H,1-3H3,(H,25,27)(H,23,24,26)
InChIKeyQDBOVXLEPGCIMU-UHFFFAOYSA-N
XLogP4.46
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.36
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dichloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-methoxybenzamide
CID 18848606
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3,5-dimethoxybenzamide
CID 1189337
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]pyridine-4-carboxamide
CID 2059815
methyl N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]carbamate
CID 4586210
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-propan-2-ylbenzamide
CID 1010612
3,5-dichloro-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-4-methoxybenzamide
CID 89096264
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-(dimethylsulfamoyl)benzamide
CID 2401409
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-propoxybenzamide
CID 2443855
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]pyridine-2-carboxamide
CID 19224265
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 121067088
3-cyano-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]benzamide
CID 2095364
1-(2-chlorophenyl)-3-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]urea
CID 4803264

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-methoxybenzamide?
The IUPAC name of 3,5-dichloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-methoxybenzamide (CID 2206745) is 3,5-dichloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-methoxybenzamide.
What is the SMILES notation for 3,5-dichloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-methoxybenzamide?
The canonical SMILES for 3,5-dichloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-methoxybenzamide is COc1c(Cl)cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-methoxybenzamide?
The InChIKey is QDBOVXLEPGCIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N4O4S/c1-11-8-18(24-12(2)23-11)26-31(28,29)15-6-4-14(5-7-15)25-20(27)13-9-16(21)19(30-3)17(22)10-13/h4-10H,1-3H3,(H,25,27)(H,23,24,26).
What are the key properties of 3,5-dichloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-methoxybenzamide?
3,5-dichloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-methoxybenzamide has a molecular weight of 481.36 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-methoxybenzamide is sourced from PubChem (CID 2206745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).