2,4-dimethyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzenesulfonamide

C18H18N4O4S2 — CID 19683803

IUPAC2,4-dimethyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c(C)c1
InChIInChI=1S/C18H18N4O4S2/c1-13-4-9-17(14(2)12-13)28(25,26)21-15-5-7-16(8-6-15)27(23,24)22-18-19-10-3-11-20-18/h3-12,21H,1-2H3,(H,19,20,22)
InChIKeyHIARJWAMNFVWCM-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.70
Rot. Bonds6

About 2,4-dimethyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzenesulfonamide

2,4-dimethyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzenesulfonamide (PubChem CID 19683803) has the molecular formula C18H18N4O4S2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 2,4-dimethyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzenesulfonamide
PubChem CID19683803
Molecular FormulaC18H18N4O4S2
Molecular Weight418.50 g/mol
Exact Mass418.08
IUPAC Name2,4-dimethyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c(C)c1
InChIInChI=1S/C18H18N4O4S2/c1-13-4-9-17(14(2)12-13)28(25,26)21-15-5-7-16(8-6-15)27(23,24)22-18-19-10-3-11-20-18/h3-12,21H,1-2H3,(H,19,20,22)
InChIKeyHIARJWAMNFVWCM-UHFFFAOYSA-N
XLogP2.70
TPSA118.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-2-methyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 110756676
4-[(4-fluorophenyl)sulfonylamino]-N-pyrimidin-2-ylbenzenesulfonamide
CID 1164234
2,4-dimethyl-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 22773866
4-hydroxy-6-methyl-2-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]chromene-3-sulfonamide
CID 155927344
2,4-dimethyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
CID 16806793
4-tert-butyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683562
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dimethylbenzenesulfonamide
CID 121028727
3,5-dimethyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 2597997
3-tert-butyl-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrazole-4-sulfonamide
CID 42283696
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 22202628
4-methyl-N-(4-pyridin-2-ylphenyl)benzenesulfonamide
CID 169370373
N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 22202667

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzenesulfonamide?
The IUPAC name of 2,4-dimethyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzenesulfonamide (CID 19683803) is 2,4-dimethyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzenesulfonamide?
The InChIKey is HIARJWAMNFVWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S2/c1-13-4-9-17(14(2)12-13)28(25,26)21-15-5-7-16(8-6-15)27(23,24)22-18-19-10-3-11-20-18/h3-12,21H,1-2H3,(H,19,20,22).
What are the key properties of 2,4-dimethyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzenesulfonamide?
2,4-dimethyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzenesulfonamide has a molecular weight of 418.50 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 19683803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).