N-(2-methoxyphenyl)-3-[[6-(3-methoxyphenyl)pyrimidin-4-yl]amino]benzenesulfonamide

C24H22N4O4S — CID 25017279

IUPACN-(2-methoxyphenyl)-3-[[6-(3-methoxyphenyl)pyrimidin-4-yl]amino]benzenesulfonamide
SMILESCOc1cccc(-c2cc(Nc3cccc(S(=O)(=O)Nc4ccccc4OC)c3)ncn2)c1
InChIInChI=1S/C24H22N4O4S/c1-31-19-9-5-7-17(13-19)22-15-24(26-16-25-22)27-18-8-6-10-20(14-18)33(29,30)28-21-11-3-4-12-23(21)32-2/h3-16,28H,1-2H3,(H,25,26,27)
InChIKeyQZVQHWULHZWOJR-UHFFFAOYSA-N
MW462.53 g/mol
LogP4.71
Rot. Bonds8

About N-(2-methoxyphenyl)-3-[[6-(3-methoxyphenyl)pyrimidin-4-yl]amino]benzenesulfonamide

N-(2-methoxyphenyl)-3-[[6-(3-methoxyphenyl)pyrimidin-4-yl]amino]benzenesulfonamide (PubChem CID 25017279) has the molecular formula C24H22N4O4S and a molecular weight of 462.53 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-3-[[6-(3-methoxyphenyl)pyrimidin-4-yl]amino]benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-3-[[6-(3-methoxyphenyl)pyrimidin-4-yl]amino]benzenesulfonamide
PubChem CID25017279
Molecular FormulaC24H22N4O4S
Molecular Weight462.53 g/mol
Exact Mass462.14
IUPAC NameN-(2-methoxyphenyl)-3-[[6-(3-methoxyphenyl)pyrimidin-4-yl]amino]benzenesulfonamide
SMILESCOc1cccc(-c2cc(Nc3cccc(S(=O)(=O)Nc4ccccc4OC)c3)ncn2)c1
InChIInChI=1S/C24H22N4O4S/c1-31-19-9-5-7-17(13-19)22-15-24(26-16-25-22)27-18-8-6-10-20(14-18)33(29,30)28-21-11-3-4-12-23(21)32-2/h3-16,28H,1-2H3,(H,25,26,27)
InChIKeyQZVQHWULHZWOJR-UHFFFAOYSA-N
XLogP4.71
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-tert-butyl-3-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]benzenesulfonamide
CID 68913394
N-(2-methoxyethyl)-3-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]benzenesulfonamide
CID 68913146
6-N-(3-methoxyphenyl)-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112866173
3-methoxy-N-[4-[(3-methoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide
CID 122194678
3-methoxy-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 45369226
N-[3-[6-[3-(methanesulfonamido)-4-methylanilino]pyrimidin-4-yl]phenyl]methanesulfonamide
CID 68915423
N-(2,4-dimethoxyphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109358796
2-methoxy-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
CID 39977662
N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 2834884
4-methoxy-N-[4-[[6-[3-(3-morpholin-4-ylpropoxy)phenyl]pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 69134957
N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]cyclopentanecarboxamide
CID 9414168
3-methoxy-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 2449372

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-3-[[6-(3-methoxyphenyl)pyrimidin-4-yl]amino]benzenesulfonamide?
The IUPAC name of N-(2-methoxyphenyl)-3-[[6-(3-methoxyphenyl)pyrimidin-4-yl]amino]benzenesulfonamide (CID 25017279) is N-(2-methoxyphenyl)-3-[[6-(3-methoxyphenyl)pyrimidin-4-yl]amino]benzenesulfonamide.
What is the SMILES notation for N-(2-methoxyphenyl)-3-[[6-(3-methoxyphenyl)pyrimidin-4-yl]amino]benzenesulfonamide?
The canonical SMILES for N-(2-methoxyphenyl)-3-[[6-(3-methoxyphenyl)pyrimidin-4-yl]amino]benzenesulfonamide is COc1cccc(-c2cc(Nc3cccc(S(=O)(=O)Nc4ccccc4OC)c3)ncn2)c1.
What is the InChIKey of N-(2-methoxyphenyl)-3-[[6-(3-methoxyphenyl)pyrimidin-4-yl]amino]benzenesulfonamide?
The InChIKey is QZVQHWULHZWOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4S/c1-31-19-9-5-7-17(13-19)22-15-24(26-16-25-22)27-18-8-6-10-20(14-18)33(29,30)28-21-11-3-4-12-23(21)32-2/h3-16,28H,1-2H3,(H,25,26,27).
What are the key properties of N-(2-methoxyphenyl)-3-[[6-(3-methoxyphenyl)pyrimidin-4-yl]amino]benzenesulfonamide?
N-(2-methoxyphenyl)-3-[[6-(3-methoxyphenyl)pyrimidin-4-yl]amino]benzenesulfonamide has a molecular weight of 462.53 g/mol, XLogP of 4.71, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-3-[[6-(3-methoxyphenyl)pyrimidin-4-yl]amino]benzenesulfonamide is sourced from PubChem (CID 25017279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).