N-(5-propoxypyrimidin-2-yl)benzenesulfonamide

C13H15N3O3S — CID 23275504

IUPACN-(5-propoxypyrimidin-2-yl)benzenesulfonamide
SMILESCCCOc1cnc(NS(=O)(=O)c2ccccc2)nc1
InChIInChI=1S/C13H15N3O3S/c1-2-8-19-11-9-14-13(15-10-11)16-20(17,18)12-6-4-3-5-7-12/h3-7,9-10H,2,8H2,1H3,(H,14,15,16)
InChIKeyQBHACRJLGYNGIF-UHFFFAOYSA-N
MW293.35 g/mol
LogP2.07
Rot. Bonds6

About N-(5-propoxypyrimidin-2-yl)benzenesulfonamide

N-(5-propoxypyrimidin-2-yl)benzenesulfonamide (PubChem CID 23275504) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is N-(5-propoxypyrimidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-propoxypyrimidin-2-yl)benzenesulfonamide
PubChem CID23275504
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC NameN-(5-propoxypyrimidin-2-yl)benzenesulfonamide
SMILESCCCOc1cnc(NS(=O)(=O)c2ccccc2)nc1
InChIInChI=1S/C13H15N3O3S/c1-2-8-19-11-9-14-13(15-10-11)16-20(17,18)12-6-4-3-5-7-12/h3-7,9-10H,2,8H2,1H3,(H,14,15,16)
InChIKeyQBHACRJLGYNGIF-UHFFFAOYSA-N
XLogP2.07
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-propoxypyrimidin-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-chloro-N-[5-(2-methoxyethoxy)pyrimidin-2-yl]benzenesulfonamide
CID 71397348
4-butoxy-N-phenylbenzenesulfonamide
CID 3597057
CID 161224902
CID 161224902
N-[4-(2-methoxyethoxy)phenyl]benzenesulfonamide
CID 39874629
4-amino-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide;hydrate
CID 45052589
N-(5-methoxypyrimidin-2-yl)-3-propanoylbenzenesulfonamide
CID 122157515
6-amino-N-(4-propoxyphenyl)pyridine-3-sulfonamide
CID 62328717
N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 42474846
azane;propoxybenzene
CID 66667480
4-bromo-N-(2-propoxyphenyl)benzenesulfonamide
CID 26952096
N-(6-ethoxypyrazin-2-yl)benzenesulfonamide
CID 155403187
propoxybenzene;sulfur dioxide
CID 174403655

Frequently Asked Questions

What is the IUPAC name of N-(5-propoxypyrimidin-2-yl)benzenesulfonamide?
The IUPAC name of N-(5-propoxypyrimidin-2-yl)benzenesulfonamide (CID 23275504) is N-(5-propoxypyrimidin-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(5-propoxypyrimidin-2-yl)benzenesulfonamide?
The canonical SMILES for N-(5-propoxypyrimidin-2-yl)benzenesulfonamide is CCCOc1cnc(NS(=O)(=O)c2ccccc2)nc1.
What is the InChIKey of N-(5-propoxypyrimidin-2-yl)benzenesulfonamide?
The InChIKey is QBHACRJLGYNGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-2-8-19-11-9-14-13(15-10-11)16-20(17,18)12-6-4-3-5-7-12/h3-7,9-10H,2,8H2,1H3,(H,14,15,16).
What are the key properties of N-(5-propoxypyrimidin-2-yl)benzenesulfonamide?
N-(5-propoxypyrimidin-2-yl)benzenesulfonamide has a molecular weight of 293.35 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propoxypyrimidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 23275504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).