5-fluoro-N-[5-(2-methoxyphenyl)-2-pyridinyl]-2-methylbenzenesulfonamide

C19H17FN2O3S — CID 11595873

IUPAC5-fluoro-N-[5-(2-methoxyphenyl)-2-pyridinyl]-2-methylbenzenesulfonamide
SMILESCOc1ccccc1-c1ccc(NS(=O)(=O)c2cc(F)ccc2C)nc1
InChIInChI=1S/C19H17FN2O3S/c1-13-7-9-15(20)11-18(13)26(23,24)22-19-10-8-14(12-21-19)16-5-3-4-6-17(16)25-2/h3-12H,1-2H3,(H,21,22)
InChIKeyNUCWSQQFUNPNHX-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.01
Rot. Bonds5

About 5-fluoro-N-[5-(2-methoxyphenyl)-2-pyridinyl]-2-methylbenzenesulfonamide

5-fluoro-N-[5-(2-methoxyphenyl)-2-pyridinyl]-2-methylbenzenesulfonamide (PubChem CID 11595873) has the molecular formula C19H17FN2O3S and a molecular weight of 372.42 g/mol. Its IUPAC name is 5-fluoro-N-[5-(2-methoxyphenyl)-2-pyridinyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-N-[5-(2-methoxyphenyl)-2-pyridinyl]-2-methylbenzenesulfonamide
PubChem CID11595873
Molecular FormulaC19H17FN2O3S
Molecular Weight372.42 g/mol
Exact Mass372.09
IUPAC Name5-fluoro-N-[5-(2-methoxyphenyl)-2-pyridinyl]-2-methylbenzenesulfonamide
SMILESCOc1ccccc1-c1ccc(NS(=O)(=O)c2cc(F)ccc2C)nc1
InChIInChI=1S/C19H17FN2O3S/c1-13-7-9-15(20)11-18(13)26(23,24)22-19-10-8-14(12-21-19)16-5-3-4-6-17(16)25-2/h3-12H,1-2H3,(H,21,22)
InChIKeyNUCWSQQFUNPNHX-UHFFFAOYSA-N
XLogP4.01
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[5-(2-methoxyphenyl)-2-pyridinyl]-2-methylbenzenesulfonamide?
The IUPAC name of 5-fluoro-N-[5-(2-methoxyphenyl)-2-pyridinyl]-2-methylbenzenesulfonamide (CID 11595873) is 5-fluoro-N-[5-(2-methoxyphenyl)-2-pyridinyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-fluoro-N-[5-(2-methoxyphenyl)-2-pyridinyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-fluoro-N-[5-(2-methoxyphenyl)-2-pyridinyl]-2-methylbenzenesulfonamide is COc1ccccc1-c1ccc(NS(=O)(=O)c2cc(F)ccc2C)nc1.
What is the InChIKey of 5-fluoro-N-[5-(2-methoxyphenyl)-2-pyridinyl]-2-methylbenzenesulfonamide?
The InChIKey is NUCWSQQFUNPNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3S/c1-13-7-9-15(20)11-18(13)26(23,24)22-19-10-8-14(12-21-19)16-5-3-4-6-17(16)25-2/h3-12H,1-2H3,(H,21,22).
What are the key properties of 5-fluoro-N-[5-(2-methoxyphenyl)-2-pyridinyl]-2-methylbenzenesulfonamide?
5-fluoro-N-[5-(2-methoxyphenyl)-2-pyridinyl]-2-methylbenzenesulfonamide has a molecular weight of 372.42 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[5-(2-methoxyphenyl)-2-pyridinyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 11595873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).