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

C20H16Cl2N6O2S — CID 121074150

IUPAC2,5-dichloro-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
SMILESCc1nc(Nc2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)cc(-n2ccnc2)n1
InChIInChI=1S/C20H16Cl2N6O2S/c1-13-24-19(11-20(25-13)28-9-8-23-12-28)26-15-3-5-16(6-4-15)27-31(29,30)18-10-14(21)2-7-17(18)22/h2-12,27H,1H3,(H,24,25,26)
InChIKeyBGDRFUDFFPMUBR-UHFFFAOYSA-N
MW475.36 g/mol
LogP4.82
Rot. Bonds6

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

2,5-dichloro-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide (PubChem CID 121074150) has the molecular formula C20H16Cl2N6O2S and a molecular weight of 475.36 g/mol. Its IUPAC name is 2,5-dichloro-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
PubChem CID121074150
Molecular FormulaC20H16Cl2N6O2S
Molecular Weight475.36 g/mol
Exact Mass474.04
IUPAC Name2,5-dichloro-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
SMILESCc1nc(Nc2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)cc(-n2ccnc2)n1
InChIInChI=1S/C20H16Cl2N6O2S/c1-13-24-19(11-20(25-13)28-9-8-23-12-28)26-15-3-5-16(6-4-15)27-31(29,30)18-10-14(21)2-7-17(18)22/h2-12,27H,1H3,(H,24,25,26)
InChIKeyBGDRFUDFFPMUBR-UHFFFAOYSA-N
XLogP4.82
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.36
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2,5-dichloro-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 121074115
2,5-dichloro-N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 122297620
N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]naphthalene-1-sulfonamide
CID 122291729
N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 121074158
2,5-dichloro-N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122309310
3-acetyl-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 122291716
5-chloro-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-methoxybenzamide
CID 121073894
1-(2-chlorophenyl)-3-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]urea
CID 56920689
3-chloro-N-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 121072896
2,4-dichloro-5-methyl-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 122297485
N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]propanamide
CID 70702579
2,5-dichloro-N-[4-(3-methylpyrazol-1-yl)phenyl]benzenesulfonamide
CID 35521098

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide (CID 121074150) is 2,5-dichloro-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide is Cc1nc(Nc2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)cc(-n2ccnc2)n1.
What is the InChIKey of 2,5-dichloro-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide?
The InChIKey is BGDRFUDFFPMUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N6O2S/c1-13-24-19(11-20(25-13)28-9-8-23-12-28)26-15-3-5-16(6-4-15)27-31(29,30)18-10-14(21)2-7-17(18)22/h2-12,27H,1H3,(H,24,25,26).
What are the key properties of 2,5-dichloro-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide?
2,5-dichloro-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide has a molecular weight of 475.36 g/mol, XLogP of 4.82, 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-yl-2-methylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide is sourced from PubChem (CID 121074150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).