2,6-dichloro-N-[[3-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methyl]benzenesulfonamide

C24H20Cl2N4O3S — CID 53257344

IUPAC2,6-dichloro-N-[[3-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methyl]benzenesulfonamide
SMILESCOc1ccccc1-c1cc(Nc2cccc(CNS(=O)(=O)c3c(Cl)cccc3Cl)c2)ncn1
InChIInChI=1S/C24H20Cl2N4O3S/c1-33-22-11-3-2-8-18(22)21-13-23(28-15-27-21)30-17-7-4-6-16(12-17)14-29-34(31,32)24-19(25)9-5-10-20(24)26/h2-13,15,29H,14H2,1H3,(H,27,28,30)
InChIKeyJJCQZJZAHLVPOV-UHFFFAOYSA-N
MW515.42 g/mol
LogP5.68
Rot. Bonds8

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

2,6-dichloro-N-[[3-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methyl]benzenesulfonamide (PubChem CID 53257344) has the molecular formula C24H20Cl2N4O3S and a molecular weight of 515.42 g/mol. Its IUPAC name is 2,6-dichloro-N-[[3-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-dichloro-N-[[3-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methyl]benzenesulfonamide
PubChem CID53257344
Molecular FormulaC24H20Cl2N4O3S
Molecular Weight515.42 g/mol
Exact Mass514.06
IUPAC Name2,6-dichloro-N-[[3-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methyl]benzenesulfonamide
SMILESCOc1ccccc1-c1cc(Nc2cccc(CNS(=O)(=O)c3c(Cl)cccc3Cl)c2)ncn1
InChIInChI=1S/C24H20Cl2N4O3S/c1-33-22-11-3-2-8-18(22)21-13-23(28-15-27-21)30-17-7-4-6-16(12-17)14-29-34(31,32)24-19(25)9-5-10-20(24)26/h2-13,15,29H,14H2,1H3,(H,27,28,30)
InChIKeyJJCQZJZAHLVPOV-UHFFFAOYSA-N
XLogP5.68
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.42
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2,6-dichloro-N-[[3-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methyl]benzenesulfonamide with MolForge

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Related Compounds

N-[[3-[[6-(4-chloro-2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methyl]methanesulfonamide
CID 70816762
1-[3-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]-N-propylmethanesulfonamide
CID 58550533
N-[[3-[[6-(2-propan-2-yloxyphenyl)pyrimidin-4-yl]amino]phenyl]methyl]methanesulfonamide
CID 67259665
N-(2-methoxyethyl)-3-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]benzenesulfonamide
CID 68913146
N-tert-butyl-3-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]benzenesulfonamide
CID 68913394
N-[[3-[(6-phenylpyrimidin-4-yl)amino]phenyl]methyl]methanesulfonamide
CID 67252155
4-chloro-1-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]benzene-1,3-diamine
CID 68910908
N-[3-[[6-(2-chlorophenyl)pyrimidin-4-yl]amino]phenyl]methanesulfonamide
CID 67609124
benzyl-[[2-methoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methyl]azanium
CID 144580791
N-[3-[[6-(4-fluoro-2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methanesulfonamide
CID 67609910
methyl 2-ethoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]benzoate
CID 144580770
[2-methoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl] N,N-dimethylcarbamate
CID 73335147

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[[3-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methyl]benzenesulfonamide?
The IUPAC name of 2,6-dichloro-N-[[3-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methyl]benzenesulfonamide (CID 53257344) is 2,6-dichloro-N-[[3-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 2,6-dichloro-N-[[3-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 2,6-dichloro-N-[[3-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methyl]benzenesulfonamide is COc1ccccc1-c1cc(Nc2cccc(CNS(=O)(=O)c3c(Cl)cccc3Cl)c2)ncn1.
What is the InChIKey of 2,6-dichloro-N-[[3-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methyl]benzenesulfonamide?
The InChIKey is JJCQZJZAHLVPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N4O3S/c1-33-22-11-3-2-8-18(22)21-13-23(28-15-27-21)30-17-7-4-6-16(12-17)14-29-34(31,32)24-19(25)9-5-10-20(24)26/h2-13,15,29H,14H2,1H3,(H,27,28,30).
What are the key properties of 2,6-dichloro-N-[[3-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methyl]benzenesulfonamide?
2,6-dichloro-N-[[3-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methyl]benzenesulfonamide has a molecular weight of 515.42 g/mol, XLogP of 5.68, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[[3-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 53257344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).