4-methoxy-3-morpholin-4-ylsulfonyl-N-pyridin-3-ylbenzamide

C17H19N3O5S — CID 1330364

IUPAC4-methoxy-3-morpholin-4-ylsulfonyl-N-pyridin-3-ylbenzamide
SMILESCOc1ccc(C(=O)Nc2cccnc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C17H19N3O5S/c1-24-15-5-4-13(17(21)19-14-3-2-6-18-12-14)11-16(15)26(22,23)20-7-9-25-10-8-20/h2-6,11-12H,7-10H2,1H3,(H,19,21)
InChIKeyVVLZBGILRLDSAI-UHFFFAOYSA-N
MW377.42 g/mol
LogP1.36
Rot. Bonds5

About 4-methoxy-3-morpholin-4-ylsulfonyl-N-pyridin-3-ylbenzamide

4-methoxy-3-morpholin-4-ylsulfonyl-N-pyridin-3-ylbenzamide (PubChem CID 1330364) has the molecular formula C17H19N3O5S and a molecular weight of 377.42 g/mol. Its IUPAC name is 4-methoxy-3-morpholin-4-ylsulfonyl-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name4-methoxy-3-morpholin-4-ylsulfonyl-N-pyridin-3-ylbenzamide
PubChem CID1330364
Molecular FormulaC17H19N3O5S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC Name4-methoxy-3-morpholin-4-ylsulfonyl-N-pyridin-3-ylbenzamide
SMILESCOc1ccc(C(=O)Nc2cccnc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C17H19N3O5S/c1-24-15-5-4-13(17(21)19-14-3-2-6-18-12-14)11-16(15)26(22,23)20-7-9-25-10-8-20/h2-6,11-12H,7-10H2,1H3,(H,19,21)
InChIKeyVVLZBGILRLDSAI-UHFFFAOYSA-N
XLogP1.36
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 2620960
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CID 6458062
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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-morpholin-4-ylsulfonyl-N-pyridin-3-ylbenzamide?
The IUPAC name of 4-methoxy-3-morpholin-4-ylsulfonyl-N-pyridin-3-ylbenzamide (CID 1330364) is 4-methoxy-3-morpholin-4-ylsulfonyl-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 4-methoxy-3-morpholin-4-ylsulfonyl-N-pyridin-3-ylbenzamide?
The canonical SMILES for 4-methoxy-3-morpholin-4-ylsulfonyl-N-pyridin-3-ylbenzamide is COc1ccc(C(=O)Nc2cccnc2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-methoxy-3-morpholin-4-ylsulfonyl-N-pyridin-3-ylbenzamide?
The InChIKey is VVLZBGILRLDSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5S/c1-24-15-5-4-13(17(21)19-14-3-2-6-18-12-14)11-16(15)26(22,23)20-7-9-25-10-8-20/h2-6,11-12H,7-10H2,1H3,(H,19,21).
What are the key properties of 4-methoxy-3-morpholin-4-ylsulfonyl-N-pyridin-3-ylbenzamide?
4-methoxy-3-morpholin-4-ylsulfonyl-N-pyridin-3-ylbenzamide has a molecular weight of 377.42 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-morpholin-4-ylsulfonyl-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 1330364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).