2,4-dichloro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide

C20H22Cl2N2O5S — CID 24687395

IUPAC2,4-dichloro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide
SMILESCN(CCOc1ccccc1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl
InChIInChI=1S/C20H22Cl2N2O5S/c1-23(7-12-29-15-5-3-2-4-6-15)20(25)16-13-19(18(22)14-17(16)21)30(26,27)24-8-10-28-11-9-24/h2-6,13-14H,7-12H2,1H3
InChIKeyNMRRCBUEXXCCHZ-UHFFFAOYSA-N
MW473.38 g/mol
LogP3.17
Rot. Bonds7

About 2,4-dichloro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide

2,4-dichloro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide (PubChem CID 24687395) has the molecular formula C20H22Cl2N2O5S and a molecular weight of 473.38 g/mol. Its IUPAC name is 2,4-dichloro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide
PubChem CID24687395
Molecular FormulaC20H22Cl2N2O5S
Molecular Weight473.38 g/mol
Exact Mass472.06
IUPAC Name2,4-dichloro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide
SMILESCN(CCOc1ccccc1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl
InChIInChI=1S/C20H22Cl2N2O5S/c1-23(7-12-29-15-5-3-2-4-6-15)20(25)16-13-19(18(22)14-17(16)21)30(26,27)24-8-10-28-11-9-24/h2-6,13-14H,7-12H2,1H3
InChIKeyNMRRCBUEXXCCHZ-UHFFFAOYSA-N
XLogP3.17
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.38
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide?
The IUPAC name of 2,4-dichloro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide (CID 24687395) is 2,4-dichloro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide?
The canonical SMILES for 2,4-dichloro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide is CN(CCOc1ccccc1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide?
The InChIKey is NMRRCBUEXXCCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O5S/c1-23(7-12-29-15-5-3-2-4-6-15)20(25)16-13-19(18(22)14-17(16)21)30(26,27)24-8-10-28-11-9-24/h2-6,13-14H,7-12H2,1H3.
What are the key properties of 2,4-dichloro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide?
2,4-dichloro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide has a molecular weight of 473.38 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide is sourced from PubChem (CID 24687395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).