N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide

C12H9ClF3N3O4S — CID 21177408

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C12H9ClF3N3O4S/c1-5-9(10(20)18-11(21)17-5)24(22,23)19-8-4-6(12(14,15)16)2-3-7(8)13/h2-4,19H,1H3,(H2,17,18,20,21)
InChIKeyUGCVUTZAGBRERN-UHFFFAOYSA-N
MW383.74 g/mol
LogP1.84
Rot. Bonds3

About N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide (PubChem CID 21177408) has the molecular formula C12H9ClF3N3O4S and a molecular weight of 383.74 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
PubChem CID21177408
Molecular FormulaC12H9ClF3N3O4S
Molecular Weight383.74 g/mol
Exact Mass383.00
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C12H9ClF3N3O4S/c1-5-9(10(20)18-11(21)17-5)24(22,23)19-8-4-6(12(14,15)16)2-3-7(8)13/h2-4,19H,1H3,(H2,17,18,20,21)
InChIKeyUGCVUTZAGBRERN-UHFFFAOYSA-N
XLogP1.84
TPSA111.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.74
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide (CID 21177408) is N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide is Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The InChIKey is UGCVUTZAGBRERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3N3O4S/c1-5-9(10(20)18-11(21)17-5)24(22,23)19-8-4-6(12(14,15)16)2-3-7(8)13/h2-4,19H,1H3,(H2,17,18,20,21).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide has a molecular weight of 383.74 g/mol, XLogP of 1.84, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide is sourced from PubChem (CID 21177408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).