3-chloro-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-4-methoxybenzenesulfonamide

C17H13ClFN3O4S — CID 71799831

IUPAC3-chloro-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cnc(Oc3ccccc3F)nc2)cc1Cl
InChIInChI=1S/C17H13ClFN3O4S/c1-25-15-7-6-12(8-13(15)18)27(23,24)22-11-9-20-17(21-10-11)26-16-5-3-2-4-14(16)19/h2-10,22H,1H3
InChIKeyGHATXNHSPXRFOP-UHFFFAOYSA-N
MW409.83 g/mol
LogP3.87
Rot. Bonds6

About 3-chloro-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-4-methoxybenzenesulfonamide

3-chloro-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-4-methoxybenzenesulfonamide (PubChem CID 71799831) has the molecular formula C17H13ClFN3O4S and a molecular weight of 409.83 g/mol. Its IUPAC name is 3-chloro-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-4-methoxybenzenesulfonamide
PubChem CID71799831
Molecular FormulaC17H13ClFN3O4S
Molecular Weight409.83 g/mol
Exact Mass409.03
IUPAC Name3-chloro-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cnc(Oc3ccccc3F)nc2)cc1Cl
InChIInChI=1S/C17H13ClFN3O4S/c1-25-15-7-6-12(8-13(15)18)27(23,24)22-11-9-20-17(21-10-11)26-16-5-3-2-4-14(16)19/h2-10,22H,1H3
InChIKeyGHATXNHSPXRFOP-UHFFFAOYSA-N
XLogP3.87
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.83
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-chloro-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-4-methoxybenzenesulfonamide 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

3,4-difluoro-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]benzenesulfonamide
CID 91968436
4-ethoxy-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-methylbenzenesulfonamide
CID 122303147
3-chloro-N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 974272
3,4-dimethoxy-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide
CID 122302279
3-chloro-4-methoxy-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 71790196
4-methoxy-3-methyl-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide
CID 122302290
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 122303153
3-chloro-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 961849
3-chloro-4-methoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 122298771
3-chloro-N-(2-methoxypyrimidin-5-yl)-4-methylbenzenesulfonamide
CID 122301724
3-chloro-4-methoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 110756685
3-chloro-N-(2,6-dichlorophenyl)-4-methoxybenzenesulfonamide
CID 113098935

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-4-methoxybenzenesulfonamide?
The IUPAC name of 3-chloro-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-4-methoxybenzenesulfonamide (CID 71799831) is 3-chloro-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cnc(Oc3ccccc3F)nc2)cc1Cl.
What is the InChIKey of 3-chloro-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-4-methoxybenzenesulfonamide?
The InChIKey is GHATXNHSPXRFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O4S/c1-25-15-7-6-12(8-13(15)18)27(23,24)22-11-9-20-17(21-10-11)26-16-5-3-2-4-14(16)19/h2-10,22H,1H3.
What are the key properties of 3-chloro-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-4-methoxybenzenesulfonamide?
3-chloro-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-4-methoxybenzenesulfonamide has a molecular weight of 409.83 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 71799831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).