N-[(2-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide

C12H13N3O5S — CID 7244636

IUPACN-[(2-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H13N3O5S/c1-20-9-5-3-2-4-8(9)6-14-21(18,19)10-7-13-12(17)15-11(10)16/h2-5,7,14H,6H2,1H3,(H2,13,15,16,17)
InChIKeyIRVQLFQRBYZHRH-UHFFFAOYSA-N
MW311.32 g/mol
LogP-0.45
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide

N-[(2-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide (PubChem CID 7244636) has the molecular formula C12H13N3O5S and a molecular weight of 311.32 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide
PubChem CID7244636
Molecular FormulaC12H13N3O5S
Molecular Weight311.32 g/mol
Exact Mass311.06
IUPAC NameN-[(2-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H13N3O5S/c1-20-9-5-3-2-4-8(9)6-14-21(18,19)10-7-13-12(17)15-11(10)16/h2-5,7,14H,6H2,1H3,(H2,13,15,16,17)
InChIKeyIRVQLFQRBYZHRH-UHFFFAOYSA-N
XLogP-0.45
TPSA121.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 6468216
2-hydrazinyl-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 43454817
2-chloro-N-[(2-methoxyphenyl)methyl]pyridine-3-sulfonamide
CID 43414928
5-ethyl-2-methoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 110757861
1-methoxy-2-[(sulfamoylamino)methyl]benzene
CID 21041220
N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43091247
2-amino-N-[(2-methoxyphenyl)methyl]pyridine-3-sulfonamide
CID 62164569
4-chloro-N-[(2-methoxyphenyl)methyl]-2,5-dimethylbenzenesulfonamide
CID 19680723
5-amino-2-bromo-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 65202045
N-[(2-methoxyphenyl)methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760660
4-(chloromethyl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 172793035
N-[(2-methoxyphenyl)methyl]-3-methylbenzenesulfonamide
CID 3841493

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide (CID 7244636) is N-[(2-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide is COc1ccccc1CNS(=O)(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The InChIKey is IRVQLFQRBYZHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O5S/c1-20-9-5-3-2-4-8(9)6-14-21(18,19)10-7-13-12(17)15-11(10)16/h2-5,7,14H,6H2,1H3,(H2,13,15,16,17).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
N-[(2-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide has a molecular weight of 311.32 g/mol, XLogP of -0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide is sourced from PubChem (CID 7244636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).