N-(4,6-dimethylpyrimidin-2-yl)-4-(oxolan-2-ylamino)benzenesulfonamide

C16H20N4O3S — CID 91156018

IUPACN-(4,6-dimethylpyrimidin-2-yl)-4-(oxolan-2-ylamino)benzenesulfonamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC3CCCO3)cc2)n1
InChIInChI=1S/C16H20N4O3S/c1-11-10-12(2)18-16(17-11)20-24(21,22)14-7-5-13(6-8-14)19-15-4-3-9-23-15/h5-8,10,15,19H,3-4,9H2,1-2H3,(H,17,18,20)
InChIKeyCDYDYECPNOIFHQ-UHFFFAOYSA-N
MW348.43 g/mol
LogP2.44
Rot. Bonds5

About N-(4,6-dimethylpyrimidin-2-yl)-4-(oxolan-2-ylamino)benzenesulfonamide

N-(4,6-dimethylpyrimidin-2-yl)-4-(oxolan-2-ylamino)benzenesulfonamide (PubChem CID 91156018) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-4-(oxolan-2-ylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-4-(oxolan-2-ylamino)benzenesulfonamide
PubChem CID91156018
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-4-(oxolan-2-ylamino)benzenesulfonamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC3CCCO3)cc2)n1
InChIInChI=1S/C16H20N4O3S/c1-11-10-12(2)18-16(17-11)20-24(21,22)14-7-5-13(6-8-14)19-15-4-3-9-23-15/h5-8,10,15,19H,3-4,9H2,1-2H3,(H,17,18,20)
InChIKeyCDYDYECPNOIFHQ-UHFFFAOYSA-N
XLogP2.44
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(4,6-dimethylpyrimidin-2-yl)-4-(oxolan-2-ylamino)benzenesulfonamide 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 N-(4,6-dimethylpyrimidin-2-yl)-4-(oxolan-2-ylamino)benzenesulfonamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-4-(oxolan-2-ylamino)benzenesulfonamide (CID 91156018) is N-(4,6-dimethylpyrimidin-2-yl)-4-(oxolan-2-ylamino)benzenesulfonamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-4-(oxolan-2-ylamino)benzenesulfonamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-4-(oxolan-2-ylamino)benzenesulfonamide is Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC3CCCO3)cc2)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-4-(oxolan-2-ylamino)benzenesulfonamide?
The InChIKey is CDYDYECPNOIFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-11-10-12(2)18-16(17-11)20-24(21,22)14-7-5-13(6-8-14)19-15-4-3-9-23-15/h5-8,10,15,19H,3-4,9H2,1-2H3,(H,17,18,20).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-4-(oxolan-2-ylamino)benzenesulfonamide?
N-(4,6-dimethylpyrimidin-2-yl)-4-(oxolan-2-ylamino)benzenesulfonamide has a molecular weight of 348.43 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-4-(oxolan-2-ylamino)benzenesulfonamide is sourced from PubChem (CID 91156018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).