4-amino-N-(6-chloropyrimidin-4-yl)-N-methylbenzenesulfonamide

C11H11ClN4O2S — CID 131873031

IUPAC4-amino-N-(6-chloropyrimidin-4-yl)-N-methylbenzenesulfonamide
SMILESCN(c1cc(Cl)ncn1)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C11H11ClN4O2S/c1-16(11-6-10(12)14-7-15-11)19(17,18)9-4-2-8(13)3-5-9/h2-7H,13H2,1H3
InChIKeyRTUZIQRRWHGJJP-UHFFFAOYSA-N
MW298.76 g/mol
LogP1.54
Rot. Bonds3

About 4-amino-N-(6-chloropyrimidin-4-yl)-N-methylbenzenesulfonamide

4-amino-N-(6-chloropyrimidin-4-yl)-N-methylbenzenesulfonamide (PubChem CID 131873031) has the molecular formula C11H11ClN4O2S and a molecular weight of 298.76 g/mol. Its IUPAC name is 4-amino-N-(6-chloropyrimidin-4-yl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(6-chloropyrimidin-4-yl)-N-methylbenzenesulfonamide
PubChem CID131873031
Molecular FormulaC11H11ClN4O2S
Molecular Weight298.76 g/mol
Exact Mass298.03
IUPAC Name4-amino-N-(6-chloropyrimidin-4-yl)-N-methylbenzenesulfonamide
SMILESCN(c1cc(Cl)ncn1)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C11H11ClN4O2S/c1-16(11-6-10(12)14-7-15-11)19(17,18)9-4-2-8(13)3-5-9/h2-7H,13H2,1H3
InChIKeyRTUZIQRRWHGJJP-UHFFFAOYSA-N
XLogP1.54
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.76
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-amino-N-(6-chloropyrimidin-4-yl)-N-methylbenzenesulfonamide 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 4-amino-N-(6-chloropyrimidin-4-yl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-amino-N-(6-chloropyrimidin-4-yl)-N-methylbenzenesulfonamide (CID 131873031) is 4-amino-N-(6-chloropyrimidin-4-yl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(6-chloropyrimidin-4-yl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-(6-chloropyrimidin-4-yl)-N-methylbenzenesulfonamide is CN(c1cc(Cl)ncn1)S(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-(6-chloropyrimidin-4-yl)-N-methylbenzenesulfonamide?
The InChIKey is RTUZIQRRWHGJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O2S/c1-16(11-6-10(12)14-7-15-11)19(17,18)9-4-2-8(13)3-5-9/h2-7H,13H2,1H3.
What are the key properties of 4-amino-N-(6-chloropyrimidin-4-yl)-N-methylbenzenesulfonamide?
4-amino-N-(6-chloropyrimidin-4-yl)-N-methylbenzenesulfonamide has a molecular weight of 298.76 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(6-chloropyrimidin-4-yl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 131873031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).