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

C22H17Cl2N5O2S — CID 58588303

IUPAC2,3-dichloro-N-[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]phenyl]benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)cc1Nc1ncccc1-c1ccncn1
InChIInChI=1S/C22H17Cl2N5O2S/c1-14-7-8-15(29-32(30,31)20-6-2-5-17(23)21(20)24)12-19(14)28-22-16(4-3-10-26-22)18-9-11-25-13-27-18/h2-13,29H,1H3,(H,26,28)
InChIKeySUNOBZBANYQHRV-UHFFFAOYSA-N
MW486.38 g/mol
LogP5.70
Rot. Bonds6

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

2,3-dichloro-N-[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]phenyl]benzenesulfonamide (PubChem CID 58588303) has the molecular formula C22H17Cl2N5O2S and a molecular weight of 486.38 g/mol. Its IUPAC name is 2,3-dichloro-N-[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-N-[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]phenyl]benzenesulfonamide
PubChem CID58588303
Molecular FormulaC22H17Cl2N5O2S
Molecular Weight486.38 g/mol
Exact Mass485.05
IUPAC Name2,3-dichloro-N-[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]phenyl]benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)cc1Nc1ncccc1-c1ccncn1
InChIInChI=1S/C22H17Cl2N5O2S/c1-14-7-8-15(29-32(30,31)20-6-2-5-17(23)21(20)24)12-19(14)28-22-16(4-3-10-26-22)18-9-11-25-13-27-18/h2-13,29H,1H3,(H,26,28)
InChIKeySUNOBZBANYQHRV-UHFFFAOYSA-N
XLogP5.70
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.38
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[5-[(4-chlorophenyl)sulfonylmethyl]-2-methylphenyl]-3-pyrimidin-4-ylpyridin-2-amine
CID 58396237
1-N-[3,5-bis(trifluoromethyl)phenyl]sulfanyl-4-methyl-3-N-(3-pyrimidin-4-yl-2-pyridinyl)benzene-1,3-diamine
CID 143140213
2-[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]phenyl]-N-phenylacetamide
CID 58396513
N-(3-hydroxy-2,2-dimethylpropyl)-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]benzamide
CID 11661113
2-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]pyridine-3-sulfonamide
CID 24621317
2-anilino-N-(3,4-dimethylphenyl)pyridine-3-sulfonamide
CID 50845504
6-methyl-1-N-(3-methylsulfonylphenyl)-5-N-(3-pyrimidin-4-yl-2-pyridinyl)isoquinoline-1,5-diamine
CID 67338993
N-(3,4-dimethylphenyl)-2-hydrazinylpyridine-3-sulfonamide
CID 43456741
N-[3-methyl-4-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]benzenesulfonamide
CID 58396565
N-(5-amino-2-methylphenyl)-2,3-dichlorobenzenesulfonamide
CID 43605236
2-chloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 5147339
N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]benzamide
CID 11662975

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]phenyl]benzenesulfonamide?
The IUPAC name of 2,3-dichloro-N-[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]phenyl]benzenesulfonamide (CID 58588303) is 2,3-dichloro-N-[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]phenyl]benzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-N-[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]phenyl]benzenesulfonamide?
The canonical SMILES for 2,3-dichloro-N-[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]phenyl]benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)cc1Nc1ncccc1-c1ccncn1.
What is the InChIKey of 2,3-dichloro-N-[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]phenyl]benzenesulfonamide?
The InChIKey is SUNOBZBANYQHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N5O2S/c1-14-7-8-15(29-32(30,31)20-6-2-5-17(23)21(20)24)12-19(14)28-22-16(4-3-10-26-22)18-9-11-25-13-27-18/h2-13,29H,1H3,(H,26,28).
What are the key properties of 2,3-dichloro-N-[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]phenyl]benzenesulfonamide?
2,3-dichloro-N-[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]phenyl]benzenesulfonamide has a molecular weight of 486.38 g/mol, XLogP of 5.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]phenyl]benzenesulfonamide is sourced from PubChem (CID 58588303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).