4-amino-3-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide

C12H13ClN4O3S — CID 107601166

IUPAC4-amino-3-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
SMILESCOc1cc(C)nc(NS(=O)(=O)c2ccc(N)c(Cl)c2)n1
InChIInChI=1S/C12H13ClN4O3S/c1-7-5-11(20-2)16-12(15-7)17-21(18,19)8-3-4-10(14)9(13)6-8/h3-6H,14H2,1-2H3,(H,15,16,17)
InChIKeyGOMJNMIGUVSBNR-UHFFFAOYSA-N
MW328.78 g/mol
LogP1.83
Rot. Bonds4

About 4-amino-3-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide

4-amino-3-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide (PubChem CID 107601166) has the molecular formula C12H13ClN4O3S and a molecular weight of 328.78 g/mol. Its IUPAC name is 4-amino-3-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
PubChem CID107601166
Molecular FormulaC12H13ClN4O3S
Molecular Weight328.78 g/mol
Exact Mass328.04
IUPAC Name4-amino-3-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
SMILESCOc1cc(C)nc(NS(=O)(=O)c2ccc(N)c(Cl)c2)n1
InChIInChI=1S/C12H13ClN4O3S/c1-7-5-11(20-2)16-12(15-7)17-21(18,19)8-3-4-10(14)9(13)6-8/h3-6H,14H2,1-2H3,(H,15,16,17)
InChIKeyGOMJNMIGUVSBNR-UHFFFAOYSA-N
XLogP1.83
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.78
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-amino-3-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

4-amino-3-bromo-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 107605453
3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide
CID 107601171
3-bromo-4-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 106704205
2-amino-4-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 107605455
4-hydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 107601659
3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)pyridine-2-sulfonamide
CID 107603209
N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzenesulfonamide
CID 717519
5-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-1H-pyrazole-4-sulfonamide
CID 107605465
2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)ethanesulfonamide
CID 107605614
2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)ethanesulfonamide
CID 107652681
2-hydrazinyl-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 107601008
1-(2-aminoethyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)pyrazole-4-sulfonamide
CID 106089332

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide?
The IUPAC name of 4-amino-3-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide (CID 107601166) is 4-amino-3-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-3-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide is COc1cc(C)nc(NS(=O)(=O)c2ccc(N)c(Cl)c2)n1.
What is the InChIKey of 4-amino-3-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide?
The InChIKey is GOMJNMIGUVSBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O3S/c1-7-5-11(20-2)16-12(15-7)17-21(18,19)8-3-4-10(14)9(13)6-8/h3-6H,14H2,1-2H3,(H,15,16,17).
What are the key properties of 4-amino-3-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide?
4-amino-3-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide has a molecular weight of 328.78 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 107601166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).