5-chloro-2-methylsulfonylpyrimidine-4-carboxamide

C6H6ClN3O3S — CID 16764602

IUPAC5-chloro-2-methylsulfonylpyrimidine-4-carboxamide
SMILESCS(=O)(=O)c1ncc(Cl)c(C(N)=O)n1
InChIInChI=1S/C6H6ClN3O3S/c1-14(12,13)6-9-2-3(7)4(10-6)5(8)11/h2H,1H3,(H2,8,11)
InChIKeyVRAPZRCKQAVKRU-UHFFFAOYSA-N
MW235.65 g/mol
LogP-0.37
Rot. Bonds2

About 5-chloro-2-methylsulfonylpyrimidine-4-carboxamide

5-chloro-2-methylsulfonylpyrimidine-4-carboxamide (PubChem CID 16764602) has the molecular formula C6H6ClN3O3S and a molecular weight of 235.65 g/mol. Its IUPAC name is 5-chloro-2-methylsulfonylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-2-methylsulfonylpyrimidine-4-carboxamide
PubChem CID16764602
Molecular FormulaC6H6ClN3O3S
Molecular Weight235.65 g/mol
Exact Mass234.98
IUPAC Name5-chloro-2-methylsulfonylpyrimidine-4-carboxamide
SMILESCS(=O)(=O)c1ncc(Cl)c(C(N)=O)n1
InChIInChI=1S/C6H6ClN3O3S/c1-14(12,13)6-9-2-3(7)4(10-6)5(8)11/h2H,1H3,(H2,8,11)
InChIKeyVRAPZRCKQAVKRU-UHFFFAOYSA-N
XLogP-0.37
TPSA103.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.65
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-chloro-2-methylsulfonylpyrimidine-4-carboxamide 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 5-chloro-2-methylsulfonylpyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-2-methylsulfonylpyrimidine-4-carboxamide (CID 16764602) is 5-chloro-2-methylsulfonylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-2-methylsulfonylpyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-2-methylsulfonylpyrimidine-4-carboxamide is CS(=O)(=O)c1ncc(Cl)c(C(N)=O)n1.
What is the InChIKey of 5-chloro-2-methylsulfonylpyrimidine-4-carboxamide?
The InChIKey is VRAPZRCKQAVKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN3O3S/c1-14(12,13)6-9-2-3(7)4(10-6)5(8)11/h2H,1H3,(H2,8,11).
What are the key properties of 5-chloro-2-methylsulfonylpyrimidine-4-carboxamide?
5-chloro-2-methylsulfonylpyrimidine-4-carboxamide has a molecular weight of 235.65 g/mol, XLogP of -0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methylsulfonylpyrimidine-4-carboxamide is sourced from PubChem (CID 16764602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).