N-[4-(diethylamino)phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide

C14H18N4O4S — CID 7635718

IUPACN-[4-(diethylamino)phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCCN(CC)c1ccc(NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C14H18N4O4S/c1-3-18(4-2)11-7-5-10(6-8-11)17-23(21,22)12-9-15-14(20)16-13(12)19/h5-9,17H,3-4H2,1-2H3,(H2,15,16,19,20)
InChIKeyWXQLKZQMONQWKU-UHFFFAOYSA-N
MW338.39 g/mol
LogP0.71
Rot. Bonds6

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

N-[4-(diethylamino)phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide (PubChem CID 7635718) has the molecular formula C14H18N4O4S and a molecular weight of 338.39 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide
PubChem CID7635718
Molecular FormulaC14H18N4O4S
Molecular Weight338.39 g/mol
Exact Mass338.10
IUPAC NameN-[4-(diethylamino)phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCCN(CC)c1ccc(NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C14H18N4O4S/c1-3-18(4-2)11-7-5-10(6-8-11)17-23(21,22)12-9-15-14(20)16-13(12)19/h5-9,17H,3-4H2,1-2H3,(H2,15,16,19,20)
InChIKeyWXQLKZQMONQWKU-UHFFFAOYSA-N
XLogP0.71
TPSA115.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide (CID 7635718) is N-[4-(diethylamino)phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide is CCN(CC)c1ccc(NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The InChIKey is WXQLKZQMONQWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4S/c1-3-18(4-2)11-7-5-10(6-8-11)17-23(21,22)12-9-15-14(20)16-13(12)19/h5-9,17H,3-4H2,1-2H3,(H2,15,16,19,20).
What are the key properties of N-[4-(diethylamino)phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
N-[4-(diethylamino)phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide has a molecular weight of 338.39 g/mol, XLogP of 0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide is sourced from PubChem (CID 7635718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).