N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-4-methylbenzenesulfonamide

C19H20N4O6S2 — CID 4254025

IUPACN-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-4-methylbenzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)nc(OC)n1
InChIInChI=1S/C19H20N4O6S2/c1-13-4-8-15(9-5-13)30(24,25)22-14-6-10-16(11-7-14)31(26,27)23-17-12-18(28-2)21-19(20-17)29-3/h4-12,22H,1-3H3,(H,20,21,23)
InChIKeyPVDKPFDJOGVKEC-UHFFFAOYSA-N
MW464.53 g/mol
LogP2.40
Rot. Bonds8

About N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-4-methylbenzenesulfonamide

N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-4-methylbenzenesulfonamide (PubChem CID 4254025) has the molecular formula C19H20N4O6S2 and a molecular weight of 464.53 g/mol. Its IUPAC name is N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-4-methylbenzenesulfonamide
PubChem CID4254025
Molecular FormulaC19H20N4O6S2
Molecular Weight464.53 g/mol
Exact Mass464.08
IUPAC NameN-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-4-methylbenzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)nc(OC)n1
InChIInChI=1S/C19H20N4O6S2/c1-13-4-8-15(9-5-13)30(24,25)22-14-6-10-16(11-7-14)31(26,27)23-17-12-18(28-2)21-19(20-17)29-3/h4-12,22H,1-3H3,(H,20,21,23)
InChIKeyPVDKPFDJOGVKEC-UHFFFAOYSA-N
XLogP2.40
TPSA136.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-4-methylbenzenesulfonamide (CID 4254025) is N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-4-methylbenzenesulfonamide is COc1cc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)nc(OC)n1.
What is the InChIKey of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-4-methylbenzenesulfonamide?
The InChIKey is PVDKPFDJOGVKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O6S2/c1-13-4-8-15(9-5-13)30(24,25)22-14-6-10-16(11-7-14)31(26,27)23-17-12-18(28-2)21-19(20-17)29-3/h4-12,22H,1-3H3,(H,20,21,23).
What are the key properties of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-4-methylbenzenesulfonamide?
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-4-methylbenzenesulfonamide has a molecular weight of 464.53 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 4254025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).