3-[3-(3-chloro-4-methoxyphenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide

C18H14ClFN2O3S — CID 18754704

IUPAC3-[3-(3-chloro-4-methoxyphenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide
SMILESCOc1ccc(-c2cccnc2-c2cc(F)cc(S(N)(=O)=O)c2)cc1Cl
InChIInChI=1S/C18H14ClFN2O3S/c1-25-17-5-4-11(9-16(17)19)15-3-2-6-22-18(15)12-7-13(20)10-14(8-12)26(21,23)24/h2-10H,1H3,(H2,21,23,24)
InChIKeyYWAWIHLMWVGIAH-UHFFFAOYSA-N
MW392.84 g/mol
LogP3.86
Rot. Bonds4

About 3-[3-(3-chloro-4-methoxyphenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide

3-[3-(3-chloro-4-methoxyphenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide (PubChem CID 18754704) has the molecular formula C18H14ClFN2O3S and a molecular weight of 392.84 g/mol. Its IUPAC name is 3-[3-(3-chloro-4-methoxyphenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-[3-(3-chloro-4-methoxyphenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide
PubChem CID18754704
Molecular FormulaC18H14ClFN2O3S
Molecular Weight392.84 g/mol
Exact Mass392.04
IUPAC Name3-[3-(3-chloro-4-methoxyphenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide
SMILESCOc1ccc(-c2cccnc2-c2cc(F)cc(S(N)(=O)=O)c2)cc1Cl
InChIInChI=1S/C18H14ClFN2O3S/c1-25-17-5-4-11(9-16(17)19)15-3-2-6-22-18(15)12-7-13(20)10-14(8-12)26(21,23)24/h2-10H,1H3,(H2,21,23,24)
InChIKeyYWAWIHLMWVGIAH-UHFFFAOYSA-N
XLogP3.86
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.84
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-chloro-4-methoxyphenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide?
The IUPAC name of 3-[3-(3-chloro-4-methoxyphenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide (CID 18754704) is 3-[3-(3-chloro-4-methoxyphenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide.
What is the SMILES notation for 3-[3-(3-chloro-4-methoxyphenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide?
The canonical SMILES for 3-[3-(3-chloro-4-methoxyphenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide is COc1ccc(-c2cccnc2-c2cc(F)cc(S(N)(=O)=O)c2)cc1Cl.
What is the InChIKey of 3-[3-(3-chloro-4-methoxyphenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide?
The InChIKey is YWAWIHLMWVGIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O3S/c1-25-17-5-4-11(9-16(17)19)15-3-2-6-22-18(15)12-7-13(20)10-14(8-12)26(21,23)24/h2-10H,1H3,(H2,21,23,24).
What are the key properties of 3-[3-(3-chloro-4-methoxyphenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide?
3-[3-(3-chloro-4-methoxyphenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide has a molecular weight of 392.84 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-chloro-4-methoxyphenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide is sourced from PubChem (CID 18754704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).