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

C13H14ClN3O4S — CID 71397348

IUPAC4-chloro-N-[5-(2-methoxyethoxy)pyrimidin-2-yl]benzenesulfonamide
SMILESCOCCOc1cnc(NS(=O)(=O)c2ccc(Cl)cc2)nc1
InChIInChI=1S/C13H14ClN3O4S/c1-20-6-7-21-11-8-15-13(16-9-11)17-22(18,19)12-4-2-10(14)3-5-12/h2-5,8-9H,6-7H2,1H3,(H,15,16,17)
InChIKeyDYCBJXYFAHGBEC-UHFFFAOYSA-N
MW343.79 g/mol
LogP1.96
Rot. Bonds7

About 4-chloro-N-[5-(2-methoxyethoxy)pyrimidin-2-yl]benzenesulfonamide

4-chloro-N-[5-(2-methoxyethoxy)pyrimidin-2-yl]benzenesulfonamide (PubChem CID 71397348) has the molecular formula C13H14ClN3O4S and a molecular weight of 343.79 g/mol. Its IUPAC name is 4-chloro-N-[5-(2-methoxyethoxy)pyrimidin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[5-(2-methoxyethoxy)pyrimidin-2-yl]benzenesulfonamide
PubChem CID71397348
Molecular FormulaC13H14ClN3O4S
Molecular Weight343.79 g/mol
Exact Mass343.04
IUPAC Name4-chloro-N-[5-(2-methoxyethoxy)pyrimidin-2-yl]benzenesulfonamide
SMILESCOCCOc1cnc(NS(=O)(=O)c2ccc(Cl)cc2)nc1
InChIInChI=1S/C13H14ClN3O4S/c1-20-6-7-21-11-8-15-13(16-9-11)17-22(18,19)12-4-2-10(14)3-5-12/h2-5,8-9H,6-7H2,1H3,(H,15,16,17)
InChIKeyDYCBJXYFAHGBEC-UHFFFAOYSA-N
XLogP1.96
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.79
LogP ≤ 51.96
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

N-(5-propoxypyrimidin-2-yl)benzenesulfonamide
CID 23275504
4-chloro-N-pyrimidin-2-ylbenzenesulfonamide
CID 935725
4-amino-N-(5-methoxypyrimidin-2-yl)benzenesulfonamide;hydrate
CID 45052589
4-(2-methoxyethoxy)-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 115631121
2-chloro-N-[4-[(5-methoxypyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 132531856
N-(5-acetyl-2-pyridinyl)-4-(2-methoxyethoxy)benzenesulfonamide
CID 69401317
N-[4-(2-methoxyethoxy)phenyl]benzenesulfonamide
CID 39874629
N-[2-(4-chlorophenoxy)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 34190671
N-tert-butyl-4-(2-methoxyethoxy)benzenesulfonamide
CID 35291114
N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-4-(2-methoxyethoxy)benzenesulfonamide
CID 30867560
N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4-(2-methoxyethoxy)benzenesulfonamide
CID 112818482
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-(2-methoxyethoxy)pyrimidin-2-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[5-(2-methoxyethoxy)pyrimidin-2-yl]benzenesulfonamide (CID 71397348) is 4-chloro-N-[5-(2-methoxyethoxy)pyrimidin-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[5-(2-methoxyethoxy)pyrimidin-2-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[5-(2-methoxyethoxy)pyrimidin-2-yl]benzenesulfonamide is COCCOc1cnc(NS(=O)(=O)c2ccc(Cl)cc2)nc1.
What is the InChIKey of 4-chloro-N-[5-(2-methoxyethoxy)pyrimidin-2-yl]benzenesulfonamide?
The InChIKey is DYCBJXYFAHGBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O4S/c1-20-6-7-21-11-8-15-13(16-9-11)17-22(18,19)12-4-2-10(14)3-5-12/h2-5,8-9H,6-7H2,1H3,(H,15,16,17).
What are the key properties of 4-chloro-N-[5-(2-methoxyethoxy)pyrimidin-2-yl]benzenesulfonamide?
4-chloro-N-[5-(2-methoxyethoxy)pyrimidin-2-yl]benzenesulfonamide has a molecular weight of 343.79 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-(2-methoxyethoxy)pyrimidin-2-yl]benzenesulfonamide is sourced from PubChem (CID 71397348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).