2-chloro-N-methyl-4-(methylamino)pyrimidine-5-sulfonamide

C6H9ClN4O2S — CID 21077585

IUPAC2-chloro-N-methyl-4-(methylamino)pyrimidine-5-sulfonamide
SMILESCNc1nc(Cl)ncc1S(=O)(=O)NC
InChIInChI=1S/C6H9ClN4O2S/c1-8-5-4(14(12,13)9-2)3-10-6(7)11-5/h3,9H,1-2H3,(H,8,10,11)
InChIKeyPGHSMQVTDHZYEN-UHFFFAOYSA-N
MW236.68 g/mol
LogP0.08
Rot. Bonds3

About 2-chloro-N-methyl-4-(methylamino)pyrimidine-5-sulfonamide

2-chloro-N-methyl-4-(methylamino)pyrimidine-5-sulfonamide (PubChem CID 21077585) has the molecular formula C6H9ClN4O2S and a molecular weight of 236.68 g/mol. Its IUPAC name is 2-chloro-N-methyl-4-(methylamino)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-methyl-4-(methylamino)pyrimidine-5-sulfonamide
PubChem CID21077585
Molecular FormulaC6H9ClN4O2S
Molecular Weight236.68 g/mol
Exact Mass236.01
IUPAC Name2-chloro-N-methyl-4-(methylamino)pyrimidine-5-sulfonamide
SMILESCNc1nc(Cl)ncc1S(=O)(=O)NC
InChIInChI=1S/C6H9ClN4O2S/c1-8-5-4(14(12,13)9-2)3-10-6(7)11-5/h3,9H,1-2H3,(H,8,10,11)
InChIKeyPGHSMQVTDHZYEN-UHFFFAOYSA-N
XLogP0.08
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.68
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-methyl-4-(methylamino)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 2-chloro-N-methyl-4-(methylamino)pyrimidine-5-sulfonamide?
The IUPAC name of 2-chloro-N-methyl-4-(methylamino)pyrimidine-5-sulfonamide (CID 21077585) is 2-chloro-N-methyl-4-(methylamino)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-methyl-4-(methylamino)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-chloro-N-methyl-4-(methylamino)pyrimidine-5-sulfonamide is CNc1nc(Cl)ncc1S(=O)(=O)NC.
What is the InChIKey of 2-chloro-N-methyl-4-(methylamino)pyrimidine-5-sulfonamide?
The InChIKey is PGHSMQVTDHZYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN4O2S/c1-8-5-4(14(12,13)9-2)3-10-6(7)11-5/h3,9H,1-2H3,(H,8,10,11).
What are the key properties of 2-chloro-N-methyl-4-(methylamino)pyrimidine-5-sulfonamide?
2-chloro-N-methyl-4-(methylamino)pyrimidine-5-sulfonamide has a molecular weight of 236.68 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-4-(methylamino)pyrimidine-5-sulfonamide is sourced from PubChem (CID 21077585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).