N-(4-methylphenyl)sulfonyl-2,4-dioxopyrimidine-1-carboxamide

C12H11N3O5S — CID 4089449

IUPACN-(4-methylphenyl)sulfonyl-2,4-dioxopyrimidine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)n2ccc(=O)[nH]c2=O)cc1
InChIInChI=1S/C12H11N3O5S/c1-8-2-4-9(5-3-8)21(19,20)14-12(18)15-7-6-10(16)13-11(15)17/h2-7H,1H3,(H,14,18)(H,13,16,17)
InChIKeyBGOWPLZISHMCNQ-UHFFFAOYSA-N
MW309.30 g/mol
LogP-0.21
Rot. Bonds2

About N-(4-methylphenyl)sulfonyl-2,4-dioxopyrimidine-1-carboxamide

N-(4-methylphenyl)sulfonyl-2,4-dioxopyrimidine-1-carboxamide (PubChem CID 4089449) has the molecular formula C12H11N3O5S and a molecular weight of 309.30 g/mol. Its IUPAC name is N-(4-methylphenyl)sulfonyl-2,4-dioxopyrimidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)sulfonyl-2,4-dioxopyrimidine-1-carboxamide
PubChem CID4089449
Molecular FormulaC12H11N3O5S
Molecular Weight309.30 g/mol
Exact Mass309.04
IUPAC NameN-(4-methylphenyl)sulfonyl-2,4-dioxopyrimidine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)n2ccc(=O)[nH]c2=O)cc1
InChIInChI=1S/C12H11N3O5S/c1-8-2-4-9(5-3-8)21(19,20)14-12(18)15-7-6-10(16)13-11(15)17/h2-7H,1H3,(H,14,18)(H,13,16,17)
InChIKeyBGOWPLZISHMCNQ-UHFFFAOYSA-N
XLogP-0.21
TPSA118.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-(4-methylphenyl)sulfonyl-2-oxoazetidine-1-carboxamide
CID 23322466
(4-methylphenyl)sulfonylurea;urea
CID 160676948
2,2-dimethyl-N-(4-methylphenyl)sulfonyl-5-oxopyrrole-1-carboxamide
CID 137375505
4,4-dimethyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
CID 110749471
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)sulfonylacetamide
CID 135964006
N-(benzenesulfonyl)-N'-(4-methylphenyl)sulfonylpropanediamide
CID 135051885
2-methyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
CID 3434753
4-methoxy-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
CID 110748344
N-(4-methylphenyl)sulfonyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-4-carboxamide
CID 25047509
4-benzoyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 110364713
1,1,3-tris-(4-methylphenyl)sulfonylurea
CID 91086807
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CID 46179849

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)sulfonyl-2,4-dioxopyrimidine-1-carboxamide?
The IUPAC name of N-(4-methylphenyl)sulfonyl-2,4-dioxopyrimidine-1-carboxamide (CID 4089449) is N-(4-methylphenyl)sulfonyl-2,4-dioxopyrimidine-1-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)sulfonyl-2,4-dioxopyrimidine-1-carboxamide?
The canonical SMILES for N-(4-methylphenyl)sulfonyl-2,4-dioxopyrimidine-1-carboxamide is Cc1ccc(S(=O)(=O)NC(=O)n2ccc(=O)[nH]c2=O)cc1.
What is the InChIKey of N-(4-methylphenyl)sulfonyl-2,4-dioxopyrimidine-1-carboxamide?
The InChIKey is BGOWPLZISHMCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O5S/c1-8-2-4-9(5-3-8)21(19,20)14-12(18)15-7-6-10(16)13-11(15)17/h2-7H,1H3,(H,14,18)(H,13,16,17).
What are the key properties of N-(4-methylphenyl)sulfonyl-2,4-dioxopyrimidine-1-carboxamide?
N-(4-methylphenyl)sulfonyl-2,4-dioxopyrimidine-1-carboxamide has a molecular weight of 309.30 g/mol, XLogP of -0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)sulfonyl-2,4-dioxopyrimidine-1-carboxamide is sourced from PubChem (CID 4089449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).