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

C13H14N4O3S — CID 617853

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IUPACN-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]formamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC=O)cc2)nc(C)n1
InChIInChI=1S/C13H14N4O3S/c1-9-7-13(16-10(2)15-9)17-21(19,20)12-5-3-11(4-6-12)14-8-18/h3-8H,1-2H3,(H,14,18)(H,15,16,17)
InChIKeyLACNPVKUGFOYFW-UHFFFAOYSA-N
MW306.35 g/mol
LogP1.46
Rot. Bonds5

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

N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]formamide (PubChem CID 617853) has the molecular formula C13H14N4O3S and a molecular weight of 306.35 g/mol. Its IUPAC name is N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]formamide.

Molecular Properties

Compound NameN-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]formamide
PubChem CID617853
Molecular FormulaC13H14N4O3S
Molecular Weight306.35 g/mol
Exact Mass306.08
IUPAC NameN-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]formamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC=O)cc2)nc(C)n1
InChIInChI=1S/C13H14N4O3S/c1-9-7-13(16-10(2)15-9)17-21(19,20)12-5-3-11(4-6-12)14-8-18/h3-8H,1-2H3,(H,14,18)(H,15,16,17)
InChIKeyLACNPVKUGFOYFW-UHFFFAOYSA-N
XLogP1.46
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Sulfamethazine
CID 5327
Sulfamerazine
CID 5325
Sulfisomidine
CID 5343
Sulfamethazine Sodium
CID 13456556
Acetylsulfadiazine
CID 64952
N4-Acetylsulfamethazine
CID 66855
N4-Acetylsulfamerazine
CID 67181
Ro 04-6790
CID 5312145
Sulfamerazine Sodium
CID 15899899
Sulfaclomide
CID 71168
4-((6-Amino-4-Pyrimidinyl)Amino)Benzenesulfonamide
CID 2608
4-((2-Amino-4-pyrimidinyl)amino)benzenesulfonamide
CID 31036

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]formamide?
The IUPAC name of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]formamide (CID 617853) is N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]formamide.
What is the SMILES notation for N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]formamide?
The canonical SMILES for N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]formamide is Cc1cc(NS(=O)(=O)c2ccc(NC=O)cc2)nc(C)n1.
What is the InChIKey of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]formamide?
The InChIKey is LACNPVKUGFOYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S/c1-9-7-13(16-10(2)15-9)17-21(19,20)12-5-3-11(4-6-12)14-8-18/h3-8H,1-2H3,(H,14,18)(H,15,16,17).
What are the key properties of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]formamide?
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]formamide has a molecular weight of 306.35 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]formamide is sourced from PubChem (CID 617853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).