5-chloro-4-[(2,5-difluorophenyl)-(4-methoxyphenyl)sulfonylmethyl]pyridin-2-amine

C19H15ClF2N2O3S — CID 23114868

IUPAC5-chloro-4-[(2,5-difluorophenyl)-(4-methoxyphenyl)sulfonylmethyl]pyridin-2-amine
SMILESCOc1ccc(S(=O)(=O)C(c2cc(F)ccc2F)c2cc(N)ncc2Cl)cc1
InChIInChI=1S/C19H15ClF2N2O3S/c1-27-12-3-5-13(6-4-12)28(25,26)19(14-9-18(23)24-10-16(14)20)15-8-11(21)2-7-17(15)22/h2-10,19H,1H3,(H2,23,24)
InChIKeySFTKQJYDNDZNMX-UHFFFAOYSA-N
MW424.86 g/mol
LogP4.17
Rot. Bonds5

About 5-chloro-4-[(2,5-difluorophenyl)-(4-methoxyphenyl)sulfonylmethyl]pyridin-2-amine

5-chloro-4-[(2,5-difluorophenyl)-(4-methoxyphenyl)sulfonylmethyl]pyridin-2-amine (PubChem CID 23114868) has the molecular formula C19H15ClF2N2O3S and a molecular weight of 424.86 g/mol. Its IUPAC name is 5-chloro-4-[(2,5-difluorophenyl)-(4-methoxyphenyl)sulfonylmethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-4-[(2,5-difluorophenyl)-(4-methoxyphenyl)sulfonylmethyl]pyridin-2-amine
PubChem CID23114868
Molecular FormulaC19H15ClF2N2O3S
Molecular Weight424.86 g/mol
Exact Mass424.05
IUPAC Name5-chloro-4-[(2,5-difluorophenyl)-(4-methoxyphenyl)sulfonylmethyl]pyridin-2-amine
SMILESCOc1ccc(S(=O)(=O)C(c2cc(F)ccc2F)c2cc(N)ncc2Cl)cc1
InChIInChI=1S/C19H15ClF2N2O3S/c1-27-12-3-5-13(6-4-12)28(25,26)19(14-9-18(23)24-10-16(14)20)15-8-11(21)2-7-17(15)22/h2-10,19H,1H3,(H2,23,24)
InChIKeySFTKQJYDNDZNMX-UHFFFAOYSA-N
XLogP4.17
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.86
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(2,5-difluorophenyl)-(4-methoxyphenyl)sulfonylmethyl]pyridin-2-amine?
The IUPAC name of 5-chloro-4-[(2,5-difluorophenyl)-(4-methoxyphenyl)sulfonylmethyl]pyridin-2-amine (CID 23114868) is 5-chloro-4-[(2,5-difluorophenyl)-(4-methoxyphenyl)sulfonylmethyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-4-[(2,5-difluorophenyl)-(4-methoxyphenyl)sulfonylmethyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-4-[(2,5-difluorophenyl)-(4-methoxyphenyl)sulfonylmethyl]pyridin-2-amine is COc1ccc(S(=O)(=O)C(c2cc(F)ccc2F)c2cc(N)ncc2Cl)cc1.
What is the InChIKey of 5-chloro-4-[(2,5-difluorophenyl)-(4-methoxyphenyl)sulfonylmethyl]pyridin-2-amine?
The InChIKey is SFTKQJYDNDZNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF2N2O3S/c1-27-12-3-5-13(6-4-12)28(25,26)19(14-9-18(23)24-10-16(14)20)15-8-11(21)2-7-17(15)22/h2-10,19H,1H3,(H2,23,24).
What are the key properties of 5-chloro-4-[(2,5-difluorophenyl)-(4-methoxyphenyl)sulfonylmethyl]pyridin-2-amine?
5-chloro-4-[(2,5-difluorophenyl)-(4-methoxyphenyl)sulfonylmethyl]pyridin-2-amine has a molecular weight of 424.86 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(2,5-difluorophenyl)-(4-methoxyphenyl)sulfonylmethyl]pyridin-2-amine is sourced from PubChem (CID 23114868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).