5-fluoro-2-methoxy-N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]benzenesulfonamide

C17H15FN4O3S — CID 126854274

IUPAC5-fluoro-2-methoxy-N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NCc1nccnc1-c1ccncc1
InChIInChI=1S/C17H15FN4O3S/c1-25-15-3-2-13(18)10-16(15)26(23,24)22-11-14-17(21-9-8-20-14)12-4-6-19-7-5-12/h2-10,22H,11H2,1H3
InChIKeyPMNGIJGETORXAX-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.16
Rot. Bonds6

About 5-fluoro-2-methoxy-N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]benzenesulfonamide

5-fluoro-2-methoxy-N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]benzenesulfonamide (PubChem CID 126854274) has the molecular formula C17H15FN4O3S and a molecular weight of 374.40 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-methoxy-N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]benzenesulfonamide
PubChem CID126854274
Molecular FormulaC17H15FN4O3S
Molecular Weight374.40 g/mol
Exact Mass374.08
IUPAC Name5-fluoro-2-methoxy-N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NCc1nccnc1-c1ccncc1
InChIInChI=1S/C17H15FN4O3S/c1-25-15-3-2-13(18)10-16(15)26(23,24)22-11-14-17(21-9-8-20-14)12-4-6-19-7-5-12/h2-10,22H,11H2,1H3
InChIKeyPMNGIJGETORXAX-UHFFFAOYSA-N
XLogP2.16
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-fluoro-2-methoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 121166393
2,5-dimethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 786081
5-fluoro-2-methoxy-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 53288976
N-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 16644774
5-fluoro-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-methoxybenzenesulfonamide
CID 121196914
5-fluoro-2-methoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 50944642
5-fluoro-2-methoxy-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 122318624
5-fluoro-2-methoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide
CID 90597100
5-fluoro-2-methoxy-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide
CID 90555780
5-fluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-methoxybenzenesulfonamide
CID 71787214
2,5-dimethoxy-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 108784363
N-(5-chloro-2-pyridinyl)-5-fluoro-2-methoxybenzenesulfonamide
CID 6473185

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 5-fluoro-2-methoxy-N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]benzenesulfonamide (CID 126854274) is 5-fluoro-2-methoxy-N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-methoxy-N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 5-fluoro-2-methoxy-N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]benzenesulfonamide is COc1ccc(F)cc1S(=O)(=O)NCc1nccnc1-c1ccncc1.
What is the InChIKey of 5-fluoro-2-methoxy-N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]benzenesulfonamide?
The InChIKey is PMNGIJGETORXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O3S/c1-25-15-3-2-13(18)10-16(15)26(23,24)22-11-14-17(21-9-8-20-14)12-4-6-19-7-5-12/h2-10,22H,11H2,1H3.
What are the key properties of 5-fluoro-2-methoxy-N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]benzenesulfonamide?
5-fluoro-2-methoxy-N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]benzenesulfonamide has a molecular weight of 374.40 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 126854274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).