3-chloro-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide

C18H19ClN2O5S — CID 4826772

IUPAC3-chloro-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C18H19ClN2O5S/c1-25-17-6-5-15(27(23,24)21-7-9-26-10-8-21)12-16(17)20-18(22)13-3-2-4-14(19)11-13/h2-6,11-12H,7-10H2,1H3,(H,20,22)
InChIKeyQJDZWJJFMVOUKR-UHFFFAOYSA-N
MW410.88 g/mol
LogP2.62
Rot. Bonds5

About 3-chloro-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide

3-chloro-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide (PubChem CID 4826772) has the molecular formula C18H19ClN2O5S and a molecular weight of 410.88 g/mol. Its IUPAC name is 3-chloro-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide
PubChem CID4826772
Molecular FormulaC18H19ClN2O5S
Molecular Weight410.88 g/mol
Exact Mass410.07
IUPAC Name3-chloro-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C18H19ClN2O5S/c1-25-17-6-5-15(27(23,24)21-7-9-26-10-8-21)12-16(17)20-18(22)13-3-2-4-14(19)11-13/h2-6,11-12H,7-10H2,1H3,(H,20,22)
InChIKeyQJDZWJJFMVOUKR-UHFFFAOYSA-N
XLogP2.62
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.88
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide?
The IUPAC name of 3-chloro-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide (CID 4826772) is 3-chloro-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 3-chloro-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide?
The canonical SMILES for 3-chloro-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide is COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide?
The InChIKey is QJDZWJJFMVOUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O5S/c1-25-17-6-5-15(27(23,24)21-7-9-26-10-8-21)12-16(17)20-18(22)13-3-2-4-14(19)11-13/h2-6,11-12H,7-10H2,1H3,(H,20,22).
What are the key properties of 3-chloro-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide?
3-chloro-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide has a molecular weight of 410.88 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 4826772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).