4-(4-chlorophenoxy)-N-methylsulfonyl-3-(2-propoxy-3-pyridinyl)benzamide

C22H21ClN2O5S — CID 71582575

IUPAC4-(4-chlorophenoxy)-N-methylsulfonyl-3-(2-propoxy-3-pyridinyl)benzamide
SMILESCCCOc1ncccc1-c1cc(C(=O)NS(C)(=O)=O)ccc1Oc1ccc(Cl)cc1
InChIInChI=1S/C22H21ClN2O5S/c1-3-13-29-22-18(5-4-12-24-22)19-14-15(21(26)25-31(2,27)28)6-11-20(19)30-17-9-7-16(23)8-10-17/h4-12,14H,3,13H2,1-2H3,(H,25,26)
InChIKeyRCMKNRGLZJMAPU-UHFFFAOYSA-N
MW460.94 g/mol
LogP4.67
Rot. Bonds8

About 4-(4-chlorophenoxy)-N-methylsulfonyl-3-(2-propoxy-3-pyridinyl)benzamide

4-(4-chlorophenoxy)-N-methylsulfonyl-3-(2-propoxy-3-pyridinyl)benzamide (PubChem CID 71582575) has the molecular formula C22H21ClN2O5S and a molecular weight of 460.94 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-N-methylsulfonyl-3-(2-propoxy-3-pyridinyl)benzamide.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-N-methylsulfonyl-3-(2-propoxy-3-pyridinyl)benzamide
PubChem CID71582575
Molecular FormulaC22H21ClN2O5S
Molecular Weight460.94 g/mol
Exact Mass460.09
IUPAC Name4-(4-chlorophenoxy)-N-methylsulfonyl-3-(2-propoxy-3-pyridinyl)benzamide
SMILESCCCOc1ncccc1-c1cc(C(=O)NS(C)(=O)=O)ccc1Oc1ccc(Cl)cc1
InChIInChI=1S/C22H21ClN2O5S/c1-3-13-29-22-18(5-4-12-24-22)19-14-15(21(26)25-31(2,27)28)6-11-20(19)30-17-9-7-16(23)8-10-17/h4-12,14H,3,13H2,1-2H3,(H,25,26)
InChIKeyRCMKNRGLZJMAPU-UHFFFAOYSA-N
XLogP4.67
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.94
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)-N-methylsulfonyl-3-(2-propoxy-3-pyridinyl)benzamide?
The IUPAC name of 4-(4-chlorophenoxy)-N-methylsulfonyl-3-(2-propoxy-3-pyridinyl)benzamide (CID 71582575) is 4-(4-chlorophenoxy)-N-methylsulfonyl-3-(2-propoxy-3-pyridinyl)benzamide.
What is the SMILES notation for 4-(4-chlorophenoxy)-N-methylsulfonyl-3-(2-propoxy-3-pyridinyl)benzamide?
The canonical SMILES for 4-(4-chlorophenoxy)-N-methylsulfonyl-3-(2-propoxy-3-pyridinyl)benzamide is CCCOc1ncccc1-c1cc(C(=O)NS(C)(=O)=O)ccc1Oc1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenoxy)-N-methylsulfonyl-3-(2-propoxy-3-pyridinyl)benzamide?
The InChIKey is RCMKNRGLZJMAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O5S/c1-3-13-29-22-18(5-4-12-24-22)19-14-15(21(26)25-31(2,27)28)6-11-20(19)30-17-9-7-16(23)8-10-17/h4-12,14H,3,13H2,1-2H3,(H,25,26).
What are the key properties of 4-(4-chlorophenoxy)-N-methylsulfonyl-3-(2-propoxy-3-pyridinyl)benzamide?
4-(4-chlorophenoxy)-N-methylsulfonyl-3-(2-propoxy-3-pyridinyl)benzamide has a molecular weight of 460.94 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)-N-methylsulfonyl-3-(2-propoxy-3-pyridinyl)benzamide is sourced from PubChem (CID 71582575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).