N-[5-(2-methoxyethoxy)pyrimidin-2-yl]benzenesulfonamide

C13H15N3O4S — CID 9565

💊View drug profile → glymidine
IUPACN-[5-(2-methoxyethoxy)pyrimidin-2-yl]benzenesulfonamide
SMILESCOCCOc1cnc(NS(=O)(=O)c2ccccc2)nc1
InChIInChI=1S/C13H15N3O4S/c1-19-7-8-20-11-9-14-13(15-10-11)16-21(17,18)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,14,15,16)
InChIKeyQFWPJPIVLCBXFJ-UHFFFAOYSA-N
MW309.35 g/mol
LogP1.30
Rot. Bonds7

About N-[5-(2-methoxyethoxy)pyrimidin-2-yl]benzenesulfonamide

N-[5-(2-methoxyethoxy)pyrimidin-2-yl]benzenesulfonamide (PubChem CID 9565) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is N-[5-(2-methoxyethoxy)pyrimidin-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(2-methoxyethoxy)pyrimidin-2-yl]benzenesulfonamide
PubChem CID9565
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC NameN-[5-(2-methoxyethoxy)pyrimidin-2-yl]benzenesulfonamide
SMILESCOCCOc1cnc(NS(=O)(=O)c2ccccc2)nc1
InChIInChI=1S/C13H15N3O4S/c1-19-7-8-20-11-9-14-13(15-10-11)16-21(17,18)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,14,15,16)
InChIKeyQFWPJPIVLCBXFJ-UHFFFAOYSA-N
XLogP1.30
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Sulfameter
CID 5326
Glymidine Sodium
CID 23672378
benzenesulfonamide, n-(5-(2-hydroxyethoxy)-2-pyrimidinyl)-, sodium salt
CID 199201
Sulfamethoxydiazine sodium
CID 14818686
Acetic acid, ((2-((phenylsulfonyl)amino)-5-pyrimidinyl)oxy)-(7CI,8CI)
CID 199202
4-amino-N-(5-methoxy-4-pyrimidinyl)benzenesulfonamide
CID 4131361
N-(5-Butoxy-2-pyrimidinyl)-P-toluenesulfonamide
CID 4086610
4-Amino-N-(5-butoxy-2-pyrimidinyl)benzenesulfonamide
CID 39354313
2-amino-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide
CID 70425481
Sulfametoxydiazine sodium
CID 42628988
2-[2-Chloro-4-(methylamino)pyrimidin-5-yl]oxyethyl (2,4,5-trifluorophenyl)methanesulfonate
CID 118238259
Sulfameter dioxane solvate
CID 139062154

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methoxyethoxy)pyrimidin-2-yl]benzenesulfonamide?
The IUPAC name of N-[5-(2-methoxyethoxy)pyrimidin-2-yl]benzenesulfonamide (CID 9565) is N-[5-(2-methoxyethoxy)pyrimidin-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[5-(2-methoxyethoxy)pyrimidin-2-yl]benzenesulfonamide?
The canonical SMILES for N-[5-(2-methoxyethoxy)pyrimidin-2-yl]benzenesulfonamide is COCCOc1cnc(NS(=O)(=O)c2ccccc2)nc1.
What is the InChIKey of N-[5-(2-methoxyethoxy)pyrimidin-2-yl]benzenesulfonamide?
The InChIKey is QFWPJPIVLCBXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-19-7-8-20-11-9-14-13(15-10-11)16-21(17,18)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,14,15,16).
What are the key properties of N-[5-(2-methoxyethoxy)pyrimidin-2-yl]benzenesulfonamide?
N-[5-(2-methoxyethoxy)pyrimidin-2-yl]benzenesulfonamide has a molecular weight of 309.35 g/mol, XLogP of 1.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methoxyethoxy)pyrimidin-2-yl]benzenesulfonamide is sourced from PubChem (CID 9565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).