4-[5-chloro-6-(2,5-difluorophenoxy)-3-pyridinyl]-3-methoxy-N-methylsulfonylbenzamide

C20H15ClF2N2O5S — CID 122422402

IUPAC4-[5-chloro-6-(2,5-difluorophenoxy)-3-pyridinyl]-3-methoxy-N-methylsulfonylbenzamide
SMILESCOc1cc(C(=O)NS(C)(=O)=O)ccc1-c1cnc(Oc2cc(F)ccc2F)c(Cl)c1
InChIInChI=1S/C20H15ClF2N2O5S/c1-29-17-8-11(19(26)25-31(2,27)28)3-5-14(17)12-7-15(21)20(24-10-12)30-18-9-13(22)4-6-16(18)23/h3-10H,1-2H3,(H,25,26)
InChIKeyYDXBXRWRIQGRSQ-UHFFFAOYSA-N
MW468.87 g/mol
LogP4.17
Rot. Bonds6

About 4-[5-chloro-6-(2,5-difluorophenoxy)-3-pyridinyl]-3-methoxy-N-methylsulfonylbenzamide

4-[5-chloro-6-(2,5-difluorophenoxy)-3-pyridinyl]-3-methoxy-N-methylsulfonylbenzamide (PubChem CID 122422402) has the molecular formula C20H15ClF2N2O5S and a molecular weight of 468.87 g/mol. Its IUPAC name is 4-[5-chloro-6-(2,5-difluorophenoxy)-3-pyridinyl]-3-methoxy-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name4-[5-chloro-6-(2,5-difluorophenoxy)-3-pyridinyl]-3-methoxy-N-methylsulfonylbenzamide
PubChem CID122422402
Molecular FormulaC20H15ClF2N2O5S
Molecular Weight468.87 g/mol
Exact Mass468.04
IUPAC Name4-[5-chloro-6-(2,5-difluorophenoxy)-3-pyridinyl]-3-methoxy-N-methylsulfonylbenzamide
SMILESCOc1cc(C(=O)NS(C)(=O)=O)ccc1-c1cnc(Oc2cc(F)ccc2F)c(Cl)c1
InChIInChI=1S/C20H15ClF2N2O5S/c1-29-17-8-11(19(26)25-31(2,27)28)3-5-14(17)12-7-15(21)20(24-10-12)30-18-9-13(22)4-6-16(18)23/h3-10H,1-2H3,(H,25,26)
InChIKeyYDXBXRWRIQGRSQ-UHFFFAOYSA-N
XLogP4.17
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.87
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-6-(2,5-difluorophenoxy)-3-pyridinyl]-3-methoxy-N-methylsulfonylbenzamide?
The IUPAC name of 4-[5-chloro-6-(2,5-difluorophenoxy)-3-pyridinyl]-3-methoxy-N-methylsulfonylbenzamide (CID 122422402) is 4-[5-chloro-6-(2,5-difluorophenoxy)-3-pyridinyl]-3-methoxy-N-methylsulfonylbenzamide.
What is the SMILES notation for 4-[5-chloro-6-(2,5-difluorophenoxy)-3-pyridinyl]-3-methoxy-N-methylsulfonylbenzamide?
The canonical SMILES for 4-[5-chloro-6-(2,5-difluorophenoxy)-3-pyridinyl]-3-methoxy-N-methylsulfonylbenzamide is COc1cc(C(=O)NS(C)(=O)=O)ccc1-c1cnc(Oc2cc(F)ccc2F)c(Cl)c1.
What is the InChIKey of 4-[5-chloro-6-(2,5-difluorophenoxy)-3-pyridinyl]-3-methoxy-N-methylsulfonylbenzamide?
The InChIKey is YDXBXRWRIQGRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF2N2O5S/c1-29-17-8-11(19(26)25-31(2,27)28)3-5-14(17)12-7-15(21)20(24-10-12)30-18-9-13(22)4-6-16(18)23/h3-10H,1-2H3,(H,25,26).
What are the key properties of 4-[5-chloro-6-(2,5-difluorophenoxy)-3-pyridinyl]-3-methoxy-N-methylsulfonylbenzamide?
4-[5-chloro-6-(2,5-difluorophenoxy)-3-pyridinyl]-3-methoxy-N-methylsulfonylbenzamide has a molecular weight of 468.87 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-6-(2,5-difluorophenoxy)-3-pyridinyl]-3-methoxy-N-methylsulfonylbenzamide is sourced from PubChem (CID 122422402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).