N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-4-methylbenzenesulfonamide

C13H15N3O4S — CID 134838868

IUPACN-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cn(C)c(=O)n(C)c2=O)cc1
InChIInChI=1S/C13H15N3O4S/c1-9-4-6-10(7-5-9)21(19,20)14-11-8-15(2)13(18)16(3)12(11)17/h4-8,14H,1-3H3
InChIKeyDXOQNTYUMZMSCS-UHFFFAOYSA-N
MW309.35 g/mol
LogP0.19
Rot. Bonds3

About N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-4-methylbenzenesulfonamide

N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-4-methylbenzenesulfonamide (PubChem CID 134838868) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-4-methylbenzenesulfonamide
PubChem CID134838868
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC NameN-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cn(C)c(=O)n(C)c2=O)cc1
InChIInChI=1S/C13H15N3O4S/c1-9-4-6-10(7-5-9)21(19,20)14-11-8-15(2)13(18)16(3)12(11)17/h4-8,14H,1-3H3
InChIKeyDXOQNTYUMZMSCS-UHFFFAOYSA-N
XLogP0.19
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 1241617
4-methyl-N-(2,4,5-trimethylphenyl)benzenesulfonamide
CID 59317382
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-4-methylbenzenesulfonamide
CID 15990108
4-methyl-N-oxidobenzenesulfonamide
CID 141387140
4-methyl-N-(2-methylindazol-7-yl)benzenesulfonamide
CID 169370772
N-(2-formyl-3-methylphenyl)-4-methylbenzenesulfonamide
CID 132937124
N-[1,3-dimethyl-6-(4-methylphenyl)sulfanyl-2-oxobenzimidazol-5-yl]-3,5-dimethylbenzenesulfonamide
CID 50772929
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
1,3-bis[2-[(4-methylphenyl)sulfonylamino]phenyl]urea
CID 170548847
N-[3-hydroxy-2-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide
CID 70133555
N-(3-fluoro-2,4-dimethylphenyl)-4-methylbenzenesulfonamide
CID 169372704

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-4-methylbenzenesulfonamide (CID 134838868) is N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cn(C)c(=O)n(C)c2=O)cc1.
What is the InChIKey of N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-4-methylbenzenesulfonamide?
The InChIKey is DXOQNTYUMZMSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-9-4-6-10(7-5-9)21(19,20)14-11-8-15(2)13(18)16(3)12(11)17/h4-8,14H,1-3H3.
What are the key properties of N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-4-methylbenzenesulfonamide?
N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-4-methylbenzenesulfonamide has a molecular weight of 309.35 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 134838868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).