2,5-dichloro-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide

C19H14Cl2N6O2S — CID 121074115

IUPAC2,5-dichloro-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Nc2cc(-n3ccnc3)ncn2)cc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C19H14Cl2N6O2S/c20-13-1-6-16(21)17(9-13)30(28,29)26-15-4-2-14(3-5-15)25-18-10-19(24-11-23-18)27-8-7-22-12-27/h1-12,26H,(H,23,24,25)
InChIKeyJRSRQUYDHGLTPY-UHFFFAOYSA-N
MW461.33 g/mol
LogP4.51
Rot. Bonds6

About 2,5-dichloro-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide

2,5-dichloro-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide (PubChem CID 121074115) has the molecular formula C19H14Cl2N6O2S and a molecular weight of 461.33 g/mol. Its IUPAC name is 2,5-dichloro-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
PubChem CID121074115
Molecular FormulaC19H14Cl2N6O2S
Molecular Weight461.33 g/mol
Exact Mass460.03
IUPAC Name2,5-dichloro-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Nc2cc(-n3ccnc3)ncn2)cc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C19H14Cl2N6O2S/c20-13-1-6-16(21)17(9-13)30(28,29)26-15-4-2-14(3-5-15)25-18-10-19(24-11-23-18)27-8-7-22-12-27/h1-12,26H,(H,23,24,25)
InChIKeyJRSRQUYDHGLTPY-UHFFFAOYSA-N
XLogP4.51
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.33
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2,5-dichloro-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dichloro-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 121074150
N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]-4-methylbenzenesulfonamide
CID 121074106
5-chloro-2-methoxy-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 122291970
N-[5-[[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide
CID 122291516
2-(4-chlorophenoxy)-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]-2-methylpropanamide
CID 121073849
2,5-dichloro-N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 122297620
5-chloro-2-methoxy-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 108781556
3-chloro-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122311973
N-(6-imidazol-1-ylpyrimidin-4-yl)-2,4-dimethoxybenzenesulfonamide
CID 121135249
N-(6-imidazol-1-ylpyrimidin-4-yl)thiophene-2-sulfonamide
CID 121135238
2,5-dichloro-N-[(4-imidazol-1-ylphenyl)methyl]benzenesulfonamide
CID 99951065
N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 121074158

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide (CID 121074115) is 2,5-dichloro-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(Nc2cc(-n3ccnc3)ncn2)cc1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide?
The InChIKey is JRSRQUYDHGLTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N6O2S/c20-13-1-6-16(21)17(9-13)30(28,29)26-15-4-2-14(3-5-15)25-18-10-19(24-11-23-18)27-8-7-22-12-27/h1-12,26H,(H,23,24,25).
What are the key properties of 2,5-dichloro-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide?
2,5-dichloro-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide has a molecular weight of 461.33 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide is sourced from PubChem (CID 121074115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).