N-(4,6-dimethylpyrimidin-2-yl)-4-(2,5-dioxopyrrol-1-yl)benzenesulfonamide

C16H14N4O4S — CID 1116832

IUPACN-(4,6-dimethylpyrimidin-2-yl)-4-(2,5-dioxopyrrol-1-yl)benzenesulfonamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(N3C(=O)C=CC3=O)cc2)n1
InChIInChI=1S/C16H14N4O4S/c1-10-9-11(2)18-16(17-10)19-25(23,24)13-5-3-12(4-6-13)20-14(21)7-8-15(20)22/h3-9H,1-2H3,(H,17,18,19)
InChIKeyWSQPMZKOBNUEID-UHFFFAOYSA-N
MW358.38 g/mol
LogP1.32
Rot. Bonds4

About N-(4,6-dimethylpyrimidin-2-yl)-4-(2,5-dioxopyrrol-1-yl)benzenesulfonamide

N-(4,6-dimethylpyrimidin-2-yl)-4-(2,5-dioxopyrrol-1-yl)benzenesulfonamide (PubChem CID 1116832) has the molecular formula C16H14N4O4S and a molecular weight of 358.38 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-4-(2,5-dioxopyrrol-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-4-(2,5-dioxopyrrol-1-yl)benzenesulfonamide
PubChem CID1116832
Molecular FormulaC16H14N4O4S
Molecular Weight358.38 g/mol
Exact Mass358.07
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-4-(2,5-dioxopyrrol-1-yl)benzenesulfonamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(N3C(=O)C=CC3=O)cc2)n1
InChIInChI=1S/C16H14N4O4S/c1-10-9-11(2)18-16(17-10)19-25(23,24)13-5-3-12(4-6-13)20-14(21)7-8-15(20)22/h3-9H,1-2H3,(H,17,18,19)
InChIKeyWSQPMZKOBNUEID-UHFFFAOYSA-N
XLogP1.32
TPSA109.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

Sulfamethazine
CID 5327
Sulfisomidine
CID 5343
Sulfamethazine Sodium
CID 13456556
Acetylsulfadiazine
CID 64952
N4-Acetylsulfamethazine
CID 66855
N4-Acetylsulfamerazine
CID 67181
N-[4-(4,6-Dimethyl-pyrimidin-2-ylsulfamoyl)-phenyl]-isobutyramide
CID 728482
N-(4,6-Dimethyl-2-pyrimidinyl)-4-nitrobenzenesulfonamide
CID 3276344
Formylsulfamethine
CID 617853
({4-[(Dimethylamino)diazenyl]phenyl}sulfonyl)(4,6-dimethylpyrimidin-2-yl)amine
CID 799989
N-[4-(2,6-Dimethyl-pyrimidin-4-ylsulfamoyl)-phenyl]-3-p-tolyl-acrylamide
CID 1116436
N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}-2-(2-methoxyethoxy)acetamide
CID 1559712

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-4-(2,5-dioxopyrrol-1-yl)benzenesulfonamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-4-(2,5-dioxopyrrol-1-yl)benzenesulfonamide (CID 1116832) is N-(4,6-dimethylpyrimidin-2-yl)-4-(2,5-dioxopyrrol-1-yl)benzenesulfonamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-4-(2,5-dioxopyrrol-1-yl)benzenesulfonamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-4-(2,5-dioxopyrrol-1-yl)benzenesulfonamide is Cc1cc(C)nc(NS(=O)(=O)c2ccc(N3C(=O)C=CC3=O)cc2)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-4-(2,5-dioxopyrrol-1-yl)benzenesulfonamide?
The InChIKey is WSQPMZKOBNUEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O4S/c1-10-9-11(2)18-16(17-10)19-25(23,24)13-5-3-12(4-6-13)20-14(21)7-8-15(20)22/h3-9H,1-2H3,(H,17,18,19).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-4-(2,5-dioxopyrrol-1-yl)benzenesulfonamide?
N-(4,6-dimethylpyrimidin-2-yl)-4-(2,5-dioxopyrrol-1-yl)benzenesulfonamide has a molecular weight of 358.38 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-4-(2,5-dioxopyrrol-1-yl)benzenesulfonamide is sourced from PubChem (CID 1116832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).