N-[3-(dimethylsulfamoyl)phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

C13H14N4O5S — CID 4552417

IUPACN-[3-(dimethylsulfamoyl)phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)c2cc(=O)[nH]c(=O)[nH]2)c1
InChIInChI=1S/C13H14N4O5S/c1-17(2)23(21,22)9-5-3-4-8(6-9)14-12(19)10-7-11(18)16-13(20)15-10/h3-7H,1-2H3,(H,14,19)(H2,15,16,18,20)
InChIKeyXTDUQRKKHPDYPS-UHFFFAOYSA-N
MW338.35 g/mol
LogP-0.43
Rot. Bonds4

About N-[3-(dimethylsulfamoyl)phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

N-[3-(dimethylsulfamoyl)phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 4552417) has the molecular formula C13H14N4O5S and a molecular weight of 338.35 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID4552417
Molecular FormulaC13H14N4O5S
Molecular Weight338.35 g/mol
Exact Mass338.07
IUPAC NameN-[3-(dimethylsulfamoyl)phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)c2cc(=O)[nH]c(=O)[nH]2)c1
InChIInChI=1S/C13H14N4O5S/c1-17(2)23(21,22)9-5-3-4-8(6-9)14-12(19)10-7-11(18)16-13(20)15-10/h3-7H,1-2H3,(H,14,19)(H2,15,16,18,20)
InChIKeyXTDUQRKKHPDYPS-UHFFFAOYSA-N
XLogP-0.43
TPSA132.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 4552417) is N-[3-(dimethylsulfamoyl)phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is CN(C)S(=O)(=O)c1cccc(NC(=O)c2cc(=O)[nH]c(=O)[nH]2)c1.
What is the InChIKey of N-[3-(dimethylsulfamoyl)phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is XTDUQRKKHPDYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O5S/c1-17(2)23(21,22)9-5-3-4-8(6-9)14-12(19)10-7-11(18)16-13(20)15-10/h3-7H,1-2H3,(H,14,19)(H2,15,16,18,20).
What are the key properties of N-[3-(dimethylsulfamoyl)phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-[3-(dimethylsulfamoyl)phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 338.35 g/mol, XLogP of -0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 4552417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).