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

C19H20N4O4S2 — CID 1028501

IUPACN-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)cc1
InChIInChI=1S/C19H20N4O4S2/c1-13-4-8-17(9-5-13)28(24,25)22-16-6-10-18(11-7-16)29(26,27)23-19-12-14(2)20-15(3)21-19/h4-12,22H,1-3H3,(H,20,21,23)
InChIKeyKDXHPVYFTKEVNA-UHFFFAOYSA-N
MW432.53 g/mol
LogP3.00
Rot. Bonds6

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

N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-methylbenzenesulfonamide (PubChem CID 1028501) has the molecular formula C19H20N4O4S2 and a molecular weight of 432.53 g/mol. Its IUPAC name is N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-methylbenzenesulfonamide
PubChem CID1028501
Molecular FormulaC19H20N4O4S2
Molecular Weight432.53 g/mol
Exact Mass432.09
IUPAC NameN-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)cc1
InChIInChI=1S/C19H20N4O4S2/c1-13-4-8-17(9-5-13)28(24,25)22-16-6-10-18(11-7-16)29(26,27)23-19-12-14(2)20-15(3)21-19/h4-12,22H,1-3H3,(H,20,21,23)
InChIKeyKDXHPVYFTKEVNA-UHFFFAOYSA-N
XLogP3.00
TPSA118.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-methylbenzenesulfonamide (CID 1028501) is N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)cc1.
What is the InChIKey of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-methylbenzenesulfonamide?
The InChIKey is KDXHPVYFTKEVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S2/c1-13-4-8-17(9-5-13)28(24,25)22-16-6-10-18(11-7-16)29(26,27)23-19-12-14(2)20-15(3)21-19/h4-12,22H,1-3H3,(H,20,21,23).
What are the key properties of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-methylbenzenesulfonamide?
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-methylbenzenesulfonamide has a molecular weight of 432.53 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 1028501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).