N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-1-benzofuran-2-carboxamide

C19H17ClN2O5S — CID 4054605

IUPACN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1cc2ccccc2o1
InChIInChI=1S/C19H17ClN2O5S/c20-15-6-5-14(12-18(15)28(24,25)22-7-9-26-10-8-22)21-19(23)17-11-13-3-1-2-4-16(13)27-17/h1-6,11-12H,7-10H2,(H,21,23)
InChIKeyARKPRTMAOTUXHP-UHFFFAOYSA-N
MW420.87 g/mol
LogP3.36
Rot. Bonds4

About N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-1-benzofuran-2-carboxamide

N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-1-benzofuran-2-carboxamide (PubChem CID 4054605) has the molecular formula C19H17ClN2O5S and a molecular weight of 420.87 g/mol. Its IUPAC name is N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
PubChem CID4054605
Molecular FormulaC19H17ClN2O5S
Molecular Weight420.87 g/mol
Exact Mass420.05
IUPAC NameN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1cc2ccccc2o1
InChIInChI=1S/C19H17ClN2O5S/c20-15-6-5-14(12-18(15)28(24,25)22-7-9-26-10-8-22)21-19(23)17-11-13-3-1-2-4-16(13)27-17/h1-6,11-12H,7-10H2,(H,21,23)
InChIKeyARKPRTMAOTUXHP-UHFFFAOYSA-N
XLogP3.36
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.87
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-1-benzofuran-2-carboxamide (CID 4054605) is N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-1-benzofuran-2-carboxamide is O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1cc2ccccc2o1.
What is the InChIKey of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is ARKPRTMAOTUXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O5S/c20-15-6-5-14(12-18(15)28(24,25)22-7-9-26-10-8-22)21-19(23)17-11-13-3-1-2-4-16(13)27-17/h1-6,11-12H,7-10H2,(H,21,23).
What are the key properties of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-1-benzofuran-2-carboxamide?
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-1-benzofuran-2-carboxamide has a molecular weight of 420.87 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 4054605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).