4-hydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide

C12H13N3O4S — CID 107601659

IUPAC4-hydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
SMILESCOc1cc(C)nc(NS(=O)(=O)c2ccc(O)cc2)n1
InChIInChI=1S/C12H13N3O4S/c1-8-7-11(19-2)14-12(13-8)15-20(17,18)10-5-3-9(16)4-6-10/h3-7,16H,1-2H3,(H,13,14,15)
InChIKeyRCBYRUBFWPNRSL-UHFFFAOYSA-N
MW295.32 g/mol
LogP1.30
Rot. Bonds4

About 4-hydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide

4-hydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide (PubChem CID 107601659) has the molecular formula C12H13N3O4S and a molecular weight of 295.32 g/mol. Its IUPAC name is 4-hydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-hydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
PubChem CID107601659
Molecular FormulaC12H13N3O4S
Molecular Weight295.32 g/mol
Exact Mass295.06
IUPAC Name4-hydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
SMILESCOc1cc(C)nc(NS(=O)(=O)c2ccc(O)cc2)n1
InChIInChI=1S/C12H13N3O4S/c1-8-7-11(19-2)14-12(13-8)15-20(17,18)10-5-3-9(16)4-6-10/h3-7,16H,1-2H3,(H,13,14,15)
InChIKeyRCBYRUBFWPNRSL-UHFFFAOYSA-N
XLogP1.30
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-hydroxy-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

3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide
CID 107601171
N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzenesulfonamide
CID 717519
3-bromo-4-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 106704205
4-amino-3-bromo-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 107605453
4-amino-3-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 107601166
5-bromo-N-(4-methoxy-6-methylpyrimidin-2-yl)thiophene-2-sulfonamide
CID 104599534
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-amino-4-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 107605455
2-hydrazinyl-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 107601008
N-(4,6-dimethylpyrimidin-2-yl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 43507234
4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide;sulfuric acid
CID 21393658

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide?
The IUPAC name of 4-hydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide (CID 107601659) is 4-hydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-hydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-hydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide is COc1cc(C)nc(NS(=O)(=O)c2ccc(O)cc2)n1.
What is the InChIKey of 4-hydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide?
The InChIKey is RCBYRUBFWPNRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4S/c1-8-7-11(19-2)14-12(13-8)15-20(17,18)10-5-3-9(16)4-6-10/h3-7,16H,1-2H3,(H,13,14,15).
What are the key properties of 4-hydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide?
4-hydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide has a molecular weight of 295.32 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 107601659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).