2,4-dichloro-N-(furan-2-ylmethyl)-5-morpholin-4-ylsulfonylbenzamide

C16H16Cl2N2O5S — CID 653205

IUPAC2,4-dichloro-N-(furan-2-ylmethyl)-5-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NCc1ccco1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl
InChIInChI=1S/C16H16Cl2N2O5S/c17-13-9-14(18)15(26(22,23)20-3-6-24-7-4-20)8-12(13)16(21)19-10-11-2-1-5-25-11/h1-2,5,8-9H,3-4,6-7,10H2,(H,19,21)
InChIKeyHMRQHLSUCRKQHP-UHFFFAOYSA-N
MW419.29 g/mol
LogP2.54
Rot. Bonds5

About 2,4-dichloro-N-(furan-2-ylmethyl)-5-morpholin-4-ylsulfonylbenzamide

2,4-dichloro-N-(furan-2-ylmethyl)-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 653205) has the molecular formula C16H16Cl2N2O5S and a molecular weight of 419.29 g/mol. Its IUPAC name is 2,4-dichloro-N-(furan-2-ylmethyl)-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(furan-2-ylmethyl)-5-morpholin-4-ylsulfonylbenzamide
PubChem CID653205
Molecular FormulaC16H16Cl2N2O5S
Molecular Weight419.29 g/mol
Exact Mass418.02
IUPAC Name2,4-dichloro-N-(furan-2-ylmethyl)-5-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NCc1ccco1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl
InChIInChI=1S/C16H16Cl2N2O5S/c17-13-9-14(18)15(26(22,23)20-3-6-24-7-4-20)8-12(13)16(21)19-10-11-2-1-5-25-11/h1-2,5,8-9H,3-4,6-7,10H2,(H,19,21)
InChIKeyHMRQHLSUCRKQHP-UHFFFAOYSA-N
XLogP2.54
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 1825978
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CID 648457
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CID 652389
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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(furan-2-ylmethyl)-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 2,4-dichloro-N-(furan-2-ylmethyl)-5-morpholin-4-ylsulfonylbenzamide (CID 653205) is 2,4-dichloro-N-(furan-2-ylmethyl)-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 2,4-dichloro-N-(furan-2-ylmethyl)-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 2,4-dichloro-N-(furan-2-ylmethyl)-5-morpholin-4-ylsulfonylbenzamide is O=C(NCc1ccco1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(furan-2-ylmethyl)-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is HMRQHLSUCRKQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O5S/c17-13-9-14(18)15(26(22,23)20-3-6-24-7-4-20)8-12(13)16(21)19-10-11-2-1-5-25-11/h1-2,5,8-9H,3-4,6-7,10H2,(H,19,21).
What are the key properties of 2,4-dichloro-N-(furan-2-ylmethyl)-5-morpholin-4-ylsulfonylbenzamide?
2,4-dichloro-N-(furan-2-ylmethyl)-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 419.29 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(furan-2-ylmethyl)-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 653205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).